REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ibr_1_A DATA FIRST_RESID 6 DATA SEQUENCE PVTLANCEDE PIHVPGAIQP HGALVTLRAD GXVLAASENI QALLGFVASP DATA SEQUENCE GSYLTQEQVG PEVLRXLEEG LTGNGPWSNS VETRIGEHLF DVIGHSYKEV DATA SEQUENCE FYLEFEIRTA DTLSITSFTL NAQRIIAQVQ LHNDTASLLS NVTDELRRXT DATA SEQUENCE GYDRVXAYRF RHDDSGEVVA ESRREDLESY LGLRYPASDI PAQARRLYIQ DATA SEQUENCE NPIRLIADVA YTPXRVFPAL NPETNESFDL SYSVLRSVSP IHCEYLTNXG DATA SEQUENCE VRASXSISIV VGGKLWGLFS CHHXSPKLIP YPVRXSFQIF SQVCSAIVER DATA SEQUENCE LEQGRIAELL RVSTERRLAL ARRARDADDL FGALAHPDDG IAALIPCDGA DATA SEQUENCE LVXLGGRTLS IRXXXERQAG NVLQRLQRDP ERDIYHTDNW XXXXXXXXXX DATA SEQUENCE GDCCGVLAIR FXXXXXGWIF WFRHEEVHXX XXXXXXXXXX XXGPSGPRLT DATA SEQUENCE PRGSFEAWEE VVRGHSTPWS ETDLAIAEKL RLDLXELCL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.026 0.000 1.155 6 P CA 0.000 63.114 63.100 0.023 0.000 0.800 6 P CB 0.000 31.712 31.700 0.021 0.000 0.726 7 V N -1.489 118.441 119.914 0.027 0.000 2.357 7 V HA 0.796 4.916 4.120 -0.000 0.000 0.281 7 V C 0.076 176.192 176.094 0.036 0.000 1.015 7 V CA 0.026 62.346 62.300 0.033 0.000 0.827 7 V CB 0.625 32.470 31.823 0.037 0.000 1.018 7 V HN 0.904 nan 8.190 nan 0.000 0.432 8 T N 1.342 115.917 114.554 0.036 0.000 2.841 8 T HA 0.595 4.945 4.350 -0.000 0.000 0.276 8 T C 0.804 175.531 174.700 0.045 0.000 1.003 8 T CA -0.817 61.306 62.100 0.038 0.000 0.995 8 T CB 1.532 70.419 68.868 0.031 0.000 1.260 8 T HN 0.189 nan 8.240 nan 0.000 0.581 9 L N 0.219 121.470 121.223 0.046 0.000 2.275 9 L HA 0.131 4.471 4.340 -0.000 0.000 0.215 9 L C 2.834 179.731 176.870 0.046 0.000 1.119 9 L CA 1.816 56.688 54.840 0.053 0.000 0.790 9 L CB -2.212 39.879 42.059 0.054 0.000 0.919 9 L HN 0.946 nan 8.230 nan 0.000 0.443 10 A N -0.650 122.192 122.820 0.037 0.000 2.021 10 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 10 A C 2.005 179.609 177.584 0.032 0.000 1.163 10 A CA 1.005 53.062 52.037 0.032 0.000 0.676 10 A CB -0.332 18.684 19.000 0.027 0.000 0.818 10 A HN 0.377 nan 8.150 nan 0.000 0.453 11 N N -1.355 117.365 118.700 0.034 0.000 2.236 11 N HA -0.023 4.717 4.740 -0.000 0.000 0.196 11 N C 1.300 176.832 175.510 0.037 0.000 1.114 11 N CA 0.703 53.773 53.050 0.033 0.000 0.859 11 N CB -0.274 38.231 38.487 0.031 0.000 0.982 11 N HN 0.520 nan 8.380 nan 0.000 0.493 12 C N 0.744 120.070 119.300 0.043 0.000 2.450 12 C HA 0.006 4.466 4.460 -0.000 0.000 0.279 12 C C 2.116 177.129 174.990 0.039 0.000 1.335 12 C CA 0.834 59.880 59.018 0.048 0.000 1.749 12 C CB -0.765 27.012 27.740 0.061 0.000 1.963 12 C HN 0.528 nan 8.230 nan 0.000 0.501 13 E N 0.375 120.596 120.200 0.035 0.000 2.118 13 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 13 E C 0.990 177.603 176.600 0.021 0.000 0.992 13 E CA 1.778 58.195 56.400 0.028 0.000 0.804 13 E CB -0.353 29.363 29.700 0.026 0.000 0.741 13 E HN 0.528 nan 8.360 nan 0.000 0.458 14 D N 0.679 121.094 120.400 0.025 0.000 2.462 14 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 14 D C -0.553 175.768 176.300 0.035 0.000 1.173 14 D CA -0.076 53.939 54.000 0.025 0.000 0.831 14 D CB 0.111 40.926 40.800 0.025 0.000 1.001 14 D HN 0.258 nan 8.370 nan 0.000 0.499 15 E N 1.905 122.126 120.200 0.035 0.000 2.376 15 E HA 0.076 4.426 4.350 -0.000 0.000 0.266 15 E C -2.274 174.366 176.600 0.068 0.000 1.009 15 E CA -1.483 54.943 56.400 0.044 0.000 0.902 15 E CB 0.998 30.723 29.700 0.040 0.000 0.972 15 E HN -0.135 nan 8.360 nan 0.000 0.439 16 P HA 0.128 nan 4.420 nan 0.000 0.241 16 P C 0.374 177.719 177.300 0.074 0.000 1.780 16 P CA -0.065 63.113 63.100 0.130 0.000 1.111 16 P CB -0.338 31.368 31.700 0.010 0.000 1.852 17 I N -0.683 119.973 120.570 0.142 0.000 3.291 17 I HA -0.091 4.079 4.170 -0.000 0.000 0.279 17 I C 1.441 177.603 176.117 0.076 0.000 1.294 17 I CA 0.531 61.871 61.300 0.066 0.000 1.428 17 I CB -0.774 37.236 38.000 0.016 0.000 1.070 17 I HN 0.187 nan 8.210 nan 0.000 0.478 18 H N 2.624 121.668 119.070 -0.043 0.000 2.482 18 H HA 0.153 4.709 4.556 -0.000 0.000 0.286 18 H C 0.901 176.240 175.328 0.018 0.000 1.017 18 H CA 1.021 57.049 56.048 -0.033 0.000 1.322 18 H CB -0.761 28.985 29.762 -0.026 0.000 1.426 18 H HN 0.397 nan 8.280 nan 0.000 0.546 19 V N -0.449 119.236 119.914 -0.382 0.000 2.266 19 V HA 0.343 4.463 4.120 -0.000 0.000 0.266 19 V C -2.480 173.548 176.094 -0.110 0.000 1.036 19 V CA -1.524 60.639 62.300 -0.229 0.000 0.828 19 V CB 1.748 33.377 31.823 -0.325 0.000 1.081 19 V HN -0.029 nan 8.190 nan 0.000 0.449 20 P HA 0.294 nan 4.420 nan 0.000 0.220 20 P C 1.295 178.598 177.300 0.005 0.000 1.154 20 P CA 1.513 64.610 63.100 -0.006 0.000 0.837 20 P CB 0.307 32.016 31.700 0.015 0.000 0.815 21 G N -0.706 108.105 108.800 0.019 0.000 2.147 21 G HA2 0.024 3.984 3.960 -0.000 0.000 0.244 21 G HA3 0.024 3.984 3.960 -0.000 0.000 0.244 21 G C 0.192 175.055 174.900 -0.063 0.000 1.005 21 G CA -0.048 45.059 45.100 0.012 0.000 0.713 21 G HN 0.759 nan 8.290 nan 0.000 0.515 22 A N -0.908 121.891 122.820 -0.035 0.000 2.589 22 A HA 0.874 5.194 4.320 -0.000 0.000 0.296 22 A C -0.124 177.459 177.584 -0.002 0.000 1.062 22 A CA -0.235 51.777 52.037 -0.041 0.000 0.686 22 A CB 1.251 20.239 19.000 -0.020 0.000 1.282 22 A HN 1.560 nan 8.150 nan 0.000 0.404 23 I N -1.443 119.120 120.570 -0.012 0.000 3.573 23 I HA 0.643 4.813 4.170 -0.000 0.000 0.285 23 I C -0.036 176.063 176.117 -0.031 0.000 1.203 23 I CA -1.183 60.100 61.300 -0.028 0.000 1.033 23 I CB 0.873 38.842 38.000 -0.051 0.000 1.348 23 I HN 0.650 nan 8.210 nan 0.000 0.525 24 Q N 0.497 120.192 119.800 -0.175 0.000 2.221 24 Q HA 0.345 4.685 4.340 -0.000 0.000 0.242 24 Q C -2.027 173.830 176.000 -0.239 0.000 0.940 24 Q CA -1.566 54.049 55.803 -0.314 0.000 0.896 24 Q CB 1.073 29.477 28.738 -0.557 0.000 1.226 24 Q HN 0.425 nan 8.270 nan 0.000 0.463 25 P HA -0.050 nan 4.420 nan 0.000 0.245 25 P C 0.032 177.327 177.300 -0.007 0.000 1.206 25 P CA 0.867 63.960 63.100 -0.011 0.000 0.781 25 P CB 0.073 31.829 31.700 0.093 0.000 0.994 26 H N -2.085 117.001 119.070 0.027 0.000 2.547 26 H HA 0.465 5.021 4.556 -0.000 0.000 0.274 26 H C 0.777 176.157 175.328 0.087 0.000 1.024 26 H CA -0.041 56.029 56.048 0.037 0.000 1.155 26 H CB -0.483 29.286 29.762 0.011 0.000 1.344 26 H HN 0.007 nan 8.280 nan 0.000 0.598 27 G N -1.203 107.585 108.800 -0.021 0.000 2.782 27 G HA2 0.730 4.690 3.960 -0.000 0.000 0.304 27 G HA3 0.730 4.690 3.960 -0.000 0.000 0.304 27 G C -1.622 173.346 174.900 0.113 0.000 1.315 27 G CA -0.708 44.471 45.100 0.131 0.000 0.791 27 G HN 0.621 nan 8.290 nan 0.000 0.519 28 A N -1.269 121.662 122.820 0.186 0.000 2.587 28 A HA 0.787 5.107 4.320 -0.000 0.000 0.293 28 A C -2.045 175.694 177.584 0.258 0.000 1.087 28 A CA -0.522 51.614 52.037 0.165 0.000 0.692 28 A CB 2.031 21.101 19.000 0.117 0.000 1.291 28 A HN 1.770 nan 8.150 nan 0.000 0.407 29 L N 1.228 122.570 121.223 0.198 0.000 2.385 29 L HA 0.808 5.148 4.340 -0.000 0.000 0.273 29 L C -1.487 175.498 176.870 0.191 0.000 0.990 29 L CA -0.435 54.529 54.840 0.206 0.000 0.821 29 L CB 2.107 44.235 42.059 0.114 0.000 1.279 29 L HN 0.505 nan 8.230 nan 0.000 0.412 30 V N 3.198 123.248 119.914 0.227 0.000 2.444 30 V HA 0.573 4.693 4.120 -0.000 0.000 0.294 30 V C 0.064 176.190 176.094 0.052 0.000 1.022 30 V CA -0.299 62.074 62.300 0.121 0.000 0.850 30 V CB 1.867 33.770 31.823 0.132 0.000 0.992 30 V HN 0.891 nan 8.190 nan 0.000 0.426 31 T N 3.735 118.246 114.554 -0.073 0.000 2.907 31 T HA 0.851 5.201 4.350 -0.000 0.000 0.284 31 T C -0.874 173.748 174.700 -0.130 0.000 1.004 31 T CA -0.533 61.453 62.100 -0.189 0.000 1.063 31 T CB 1.290 69.912 68.868 -0.411 0.000 0.992 31 T HN 0.261 nan 8.240 nan 0.000 0.483 32 L N 2.016 123.174 121.223 -0.109 0.000 2.445 32 L HA 0.606 4.946 4.340 -0.000 0.000 0.262 32 L C 0.293 177.155 176.870 -0.013 0.000 0.974 32 L CA -1.110 53.683 54.840 -0.078 0.000 0.822 32 L CB 2.076 44.070 42.059 -0.108 0.000 1.339 32 L HN 0.966 nan 8.230 nan 0.000 0.409 33 R N 1.604 122.084 120.500 -0.033 0.000 2.668 33 R HA 0.691 5.031 4.340 -0.000 0.000 0.268 33 R C 0.927 177.235 176.300 0.014 0.000 1.232 33 R CA 0.194 56.311 56.100 0.028 0.000 1.166 33 R CB 0.312 30.611 30.300 -0.001 0.000 1.179 33 R HN 0.653 nan 8.270 nan 0.000 0.606 34 A N 0.276 123.139 122.820 0.072 0.000 2.125 34 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 34 A C 0.912 178.408 177.584 -0.146 0.000 1.156 34 A CA 1.517 53.580 52.037 0.044 0.000 0.671 34 A CB -0.715 18.361 19.000 0.126 0.000 0.794 34 A HN 0.873 nan 8.150 nan 0.000 0.459 35 D N -1.892 118.450 120.400 -0.096 0.000 2.368 35 D HA 0.378 5.018 4.640 -0.000 0.000 0.218 35 D C 0.913 177.186 176.300 -0.044 0.000 1.112 35 D CA 0.620 54.587 54.000 -0.054 0.000 0.834 35 D CB -0.683 40.149 40.800 0.052 0.000 0.953 35 D HN 0.812 nan 8.370 nan 0.000 0.505 39 L N 2.812 124.009 121.223 -0.044 0.000 2.470 39 L HA 0.776 5.116 4.340 -0.000 0.000 0.219 39 L C 0.816 177.735 176.870 0.082 0.000 1.071 39 L CA 1.230 56.104 54.840 0.057 0.000 0.850 39 L CB 0.807 42.971 42.059 0.175 0.000 1.040 39 L HN 0.832 nan 8.230 nan 0.000 0.475 40 A N -0.623 122.169 122.820 -0.048 0.000 2.610 40 A HA 0.851 5.171 4.320 -0.000 0.000 0.291 40 A C -1.721 175.810 177.584 -0.088 0.000 1.086 40 A CA 0.033 52.013 52.037 -0.096 0.000 0.677 40 A CB 1.341 20.127 19.000 -0.358 0.000 1.278 40 A HN -0.021 nan 8.150 nan 0.000 0.414 41 A N 0.280 123.086 122.820 -0.023 0.000 2.574 41 A HA 0.807 5.127 4.320 -0.000 0.000 0.297 41 A C 0.105 177.703 177.584 0.023 0.000 1.062 41 A CA 0.200 52.256 52.037 0.032 0.000 0.686 41 A CB 0.717 19.790 19.000 0.121 0.000 1.285 41 A HN 2.429 nan 8.150 nan 0.000 0.403 42 S N 0.378 116.093 115.700 0.026 0.000 2.572 42 S HA 0.148 4.618 4.470 -0.000 0.000 0.267 42 S C 0.612 175.229 174.600 0.028 0.000 1.361 42 S CA 0.701 58.896 58.200 -0.007 0.000 1.009 42 S CB 0.227 63.437 63.200 0.017 0.000 0.888 42 S HN 0.835 nan 8.310 nan 0.000 0.553 43 E N 0.570 120.783 120.200 0.022 0.000 2.478 43 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 43 E C 0.880 177.508 176.600 0.047 0.000 1.045 43 E CA 0.403 56.864 56.400 0.101 0.000 0.868 43 E CB -0.405 29.408 29.700 0.189 0.000 0.885 43 E HN 0.772 nan 8.360 nan 0.000 0.505 44 N N 1.649 120.357 118.700 0.013 0.000 2.230 44 N HA -0.027 4.713 4.740 -0.000 0.000 0.202 44 N C 1.508 176.966 175.510 -0.087 0.000 1.119 44 N CA 0.138 53.180 53.050 -0.013 0.000 0.851 44 N CB -0.223 38.272 38.487 0.014 0.000 0.990 44 N HN 0.284 nan 8.380 nan 0.000 0.497 45 I N -0.604 119.890 120.570 -0.127 0.000 2.248 45 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 45 I C 2.449 178.175 176.117 -0.652 0.000 1.107 45 I CA 1.474 62.553 61.300 -0.368 0.000 1.373 45 I CB -0.885 36.980 38.000 -0.224 0.000 1.055 45 I HN 0.140 nan 8.210 nan 0.000 0.418 46 Q N 0.927 120.486 119.800 -0.402 0.000 2.083 46 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 46 Q C 2.371 178.244 176.000 -0.213 0.000 0.969 46 Q CA 1.560 57.160 55.803 -0.338 0.000 0.838 46 Q CB -0.156 28.473 28.738 -0.182 0.000 0.900 46 Q HN 0.655 nan 8.270 nan 0.000 0.436 47 A N 0.435 123.179 122.820 -0.126 0.000 1.877 47 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 47 A C 1.900 179.479 177.584 -0.008 0.000 1.186 47 A CA 1.143 53.153 52.037 -0.045 0.000 0.620 47 A CB -0.529 18.467 19.000 -0.006 0.000 0.822 47 A HN 0.396 nan 8.150 nan 0.000 0.443 48 L N -1.426 119.780 121.223 -0.027 0.000 2.131 48 L HA 0.234 4.574 4.340 -0.000 0.000 0.206 48 L C 0.475 177.387 176.870 0.070 0.000 1.087 48 L CA 1.227 56.121 54.840 0.090 0.000 0.767 48 L CB -0.163 41.957 42.059 0.101 0.000 0.917 48 L HN 0.338 nan 8.230 nan 0.000 0.441 49 L N -4.126 116.976 121.223 -0.202 0.000 2.403 49 L HA 0.460 4.800 4.340 -0.000 0.000 0.253 49 L C 1.298 177.952 176.870 -0.360 0.000 1.045 49 L CA -0.245 54.455 54.840 -0.234 0.000 0.845 49 L CB 0.967 42.883 42.059 -0.237 0.000 1.447 49 L HN -0.178 nan 8.230 nan 0.000 0.411 50 G N 0.550 109.253 108.800 -0.161 0.000 2.446 50 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 50 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 50 G C 0.558 175.348 174.900 -0.184 0.000 1.168 50 G CA 0.577 45.610 45.100 -0.112 0.000 0.771 50 G HN 0.505 nan 8.290 nan 0.000 0.551 51 F N -0.013 119.892 119.950 -0.076 0.000 2.535 51 F HA 0.493 5.020 4.527 -0.000 0.000 0.332 51 F C -0.238 175.531 175.800 -0.052 0.000 1.208 51 F CA -1.467 56.494 58.000 -0.064 0.000 1.330 51 F CB 0.562 39.509 39.000 -0.087 0.000 1.167 51 F HN -0.146 nan 8.300 nan 0.000 0.597 52 V N 2.643 122.650 119.914 0.155 0.000 2.266 52 V HA 0.504 4.623 4.120 -0.000 0.000 0.271 52 V C 0.289 176.536 176.094 0.256 0.000 1.032 52 V CA -0.851 61.518 62.300 0.115 0.000 0.806 52 V CB 0.045 31.895 31.823 0.044 0.000 1.052 52 V HN 1.111 nan 8.190 nan 0.000 0.449 53 A N 4.106 127.205 122.820 0.465 0.000 2.476 53 A HA 0.518 4.838 4.320 -0.000 0.000 0.275 53 A C 0.716 178.376 177.584 0.127 0.000 1.133 53 A CA 0.075 52.260 52.037 0.247 0.000 0.797 53 A CB -0.140 18.987 19.000 0.212 0.000 1.081 53 A HN 0.880 nan 8.150 nan 0.000 0.510 54 S N 3.575 119.315 115.700 0.068 0.000 2.454 54 S HA 0.623 5.093 4.470 -0.000 0.000 0.306 54 S C -2.931 171.676 174.600 0.013 0.000 1.100 54 S CA -1.774 56.455 58.200 0.047 0.000 1.087 54 S CB 1.258 64.484 63.200 0.042 0.000 1.019 54 S HN 0.460 nan 8.310 nan 0.000 0.480 55 P HA 0.207 nan 4.420 nan 0.000 0.261 55 P C 1.216 178.499 177.300 -0.028 0.000 1.173 55 P CA 1.490 64.589 63.100 -0.002 0.000 0.760 55 P CB 0.089 31.810 31.700 0.036 0.000 0.783 56 G N 2.001 110.749 108.800 -0.087 0.000 2.397 56 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.211 56 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.211 56 G C 0.535 175.338 174.900 -0.162 0.000 1.077 56 G CA 0.155 45.194 45.100 -0.101 0.000 0.649 56 G HN 0.828 nan 8.290 nan 0.000 0.511 57 S N 0.577 116.219 115.700 -0.096 0.000 2.558 57 S HA 0.449 4.919 4.470 -0.000 0.000 0.287 57 S C 0.134 174.618 174.600 -0.193 0.000 1.321 57 S CA 0.169 58.339 58.200 -0.049 0.000 1.048 57 S CB 0.154 63.345 63.200 -0.014 0.000 0.844 57 S HN 0.559 nan 8.310 nan 0.000 0.512 58 Y N 2.191 122.463 120.300 -0.046 0.000 2.420 58 Y HA 0.483 5.033 4.550 -0.000 0.000 0.334 58 Y C 0.339 176.191 175.900 -0.079 0.000 1.094 58 Y CA -1.516 56.543 58.100 -0.068 0.000 1.126 58 Y CB 0.717 39.136 38.460 -0.068 0.000 1.217 58 Y HN 0.406 nan 8.280 nan 0.000 0.462 59 L N 2.104 123.350 121.223 0.038 0.000 2.461 59 L HA 0.245 4.585 4.340 -0.000 0.000 0.272 59 L C 0.490 177.358 176.870 -0.003 0.000 1.197 59 L CA 0.009 54.828 54.840 -0.034 0.000 0.836 59 L CB 0.232 42.242 42.059 -0.083 0.000 1.105 59 L HN 0.815 nan 8.230 nan 0.000 0.477 60 T N -1.361 113.180 114.554 -0.022 0.000 2.893 60 T HA 0.345 4.695 4.350 -0.000 0.000 0.291 60 T C 0.666 175.358 174.700 -0.013 0.000 1.028 60 T CA -0.779 61.314 62.100 -0.011 0.000 0.995 60 T CB 1.538 70.405 68.868 -0.001 0.000 1.051 60 T HN 0.508 nan 8.240 nan 0.000 0.470 61 Q N 0.198 119.993 119.800 -0.007 0.000 2.217 61 Q HA -0.194 4.146 4.340 -0.000 0.000 0.209 61 Q C 1.127 177.133 176.000 0.010 0.000 0.988 61 Q CA 1.886 57.690 55.803 0.002 0.000 0.878 61 Q CB -0.124 28.616 28.738 0.002 0.000 0.909 61 Q HN 0.738 nan 8.270 nan 0.000 0.424 62 E N -0.441 119.765 120.200 0.010 0.000 2.502 62 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 62 E C 1.112 177.730 176.600 0.029 0.000 1.062 62 E CA 0.297 56.708 56.400 0.019 0.000 0.867 62 E CB 0.275 29.986 29.700 0.017 0.000 0.888 62 E HN 0.308 nan 8.360 nan 0.000 0.510 63 Q N -1.108 118.703 119.800 0.018 0.000 2.442 63 Q HA 0.187 4.527 4.340 -0.000 0.000 0.228 63 Q C 1.129 177.137 176.000 0.014 0.000 0.902 63 Q CA 0.407 56.228 55.803 0.030 0.000 0.933 63 Q CB 0.945 29.663 28.738 -0.034 0.000 1.071 63 Q HN 0.122 nan 8.270 nan 0.000 0.562 64 V N -0.699 119.209 119.914 -0.011 0.000 3.382 64 V HA 0.306 4.426 4.120 -0.000 0.000 0.296 64 V C 0.078 176.208 176.094 0.059 0.000 1.529 64 V CA 0.607 62.908 62.300 0.001 0.000 1.048 64 V CB 1.182 32.981 31.823 -0.040 0.000 0.878 64 V HN 0.493 nan 8.190 nan 0.000 0.442 65 G N 1.547 110.374 108.800 0.046 0.000 2.781 65 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.683 65 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.683 65 G C -2.140 172.783 174.900 0.038 0.000 1.390 65 G CA -0.080 45.051 45.100 0.052 0.000 0.850 65 G HN 0.176 nan 8.290 nan 0.000 0.557 66 P HA 0.135 nan 4.420 nan 0.000 0.228 66 P C 1.375 178.691 177.300 0.026 0.000 1.166 66 P CA 1.245 64.358 63.100 0.022 0.000 0.812 66 P CB 0.203 31.914 31.700 0.018 0.000 0.857 67 E N 0.096 120.319 120.200 0.038 0.000 2.051 67 E HA -0.105 4.244 4.350 -0.000 0.000 0.192 67 E C 1.976 178.604 176.600 0.045 0.000 0.991 67 E CA 1.140 57.565 56.400 0.042 0.000 0.799 67 E CB -0.923 28.807 29.700 0.050 0.000 0.748 67 E HN -0.001 nan 8.360 nan 0.000 0.449 68 V N 2.006 121.952 119.914 0.053 0.000 2.261 68 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 68 V C 2.420 178.534 176.094 0.033 0.000 1.047 68 V CA 1.496 63.827 62.300 0.052 0.000 1.015 68 V CB -0.500 31.370 31.823 0.079 0.000 0.642 68 V HN 0.288 nan 8.190 nan 0.000 0.446 69 L N -0.338 120.895 121.223 0.017 0.000 2.079 69 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 69 L C 1.941 178.797 176.870 -0.022 0.000 1.081 69 L CA 1.235 56.067 54.840 -0.013 0.000 0.752 69 L CB -0.481 41.568 42.059 -0.016 0.000 0.896 69 L HN 0.383 nan 8.230 nan 0.000 0.433 73 E N 0.821 120.895 120.200 -0.211 0.000 2.072 73 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 73 E C 1.526 178.009 176.600 -0.196 0.000 0.985 73 E CA 1.553 57.834 56.400 -0.199 0.000 0.801 73 E CB 0.086 29.719 29.700 -0.112 0.000 0.750 73 E HN 0.732 nan 8.360 nan 0.000 0.452 74 E N 0.406 120.536 120.200 -0.117 0.000 2.160 74 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 74 E C 2.007 178.499 176.600 -0.182 0.000 0.991 74 E CA 1.472 57.839 56.400 -0.055 0.000 0.810 74 E CB -0.259 29.499 29.700 0.096 0.000 0.742 74 E HN 0.193 nan 8.360 nan 0.000 0.466 75 G N 0.644 109.123 108.800 -0.535 0.000 2.395 75 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.214 75 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.214 75 G C 1.409 175.969 174.900 -0.567 0.000 1.177 75 G CA 0.498 44.934 45.100 -1.106 0.000 0.794 75 G HN 0.184 nan 8.290 nan 0.000 0.532 76 L N 1.655 122.500 121.223 -0.630 0.000 2.201 76 L HA 0.035 4.375 4.340 -0.000 0.000 0.212 76 L C 2.955 179.686 176.870 -0.231 0.000 1.105 76 L CA 2.096 56.620 54.840 -0.528 0.000 0.775 76 L CB -0.928 40.821 42.059 -0.517 0.000 0.913 76 L HN 0.490 nan 8.230 nan 0.000 0.440 77 T N -4.613 109.837 114.554 -0.173 0.000 2.990 77 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 77 T C 1.138 175.818 174.700 -0.034 0.000 1.039 77 T CA 0.264 62.312 62.100 -0.085 0.000 1.036 77 T CB -0.290 68.532 68.868 -0.076 0.000 0.994 77 T HN 0.185 nan 8.240 nan 0.000 0.489 78 G N 1.134 109.918 108.800 -0.027 0.000 2.699 78 G HA2 0.266 4.226 3.960 -0.000 0.000 0.246 78 G HA3 0.266 4.226 3.960 -0.000 0.000 0.246 78 G C 0.415 175.351 174.900 0.061 0.000 1.219 78 G CA -0.440 44.683 45.100 0.038 0.000 0.866 78 G HN 0.301 nan 8.290 nan 0.000 0.572 79 N N 0.319 119.063 118.700 0.073 0.000 2.420 79 N HA 0.035 4.775 4.740 -0.000 0.000 0.185 79 N C 1.482 177.040 175.510 0.079 0.000 1.033 79 N CA 0.836 53.925 53.050 0.066 0.000 0.879 79 N CB -0.052 38.464 38.487 0.047 0.000 1.071 79 N HN 0.548 nan 8.380 nan 0.000 0.437 80 G N 1.394 110.247 108.800 0.089 0.000 2.543 80 G HA2 0.408 4.367 3.960 -0.000 0.000 0.267 80 G HA3 0.408 4.367 3.960 -0.000 0.000 0.267 80 G C -2.349 172.615 174.900 0.106 0.000 1.406 80 G CA -0.624 44.524 45.100 0.080 0.000 1.048 80 G HN -0.014 nan 8.290 nan 0.000 0.548 81 P HA 0.049 nan 4.420 nan 0.000 0.260 81 P C -1.124 176.281 177.300 0.175 0.000 1.172 81 P CA 0.267 63.416 63.100 0.081 0.000 0.760 81 P CB 0.369 32.078 31.700 0.015 0.000 0.773 82 W N 4.116 125.416 121.300 0.001 0.000 2.469 82 W HA 0.575 5.234 4.660 -0.000 0.000 0.320 82 W C -0.750 175.816 176.519 0.078 0.000 1.086 82 W CA -0.155 57.226 57.345 0.060 0.000 1.211 82 W CB 1.328 30.868 29.460 0.133 0.000 1.298 82 W HN 0.203 nan 8.180 nan 0.000 0.525 83 S N 5.139 120.542 115.700 -0.495 0.000 2.546 83 S HA 0.592 5.062 4.470 -0.000 0.000 0.272 83 S C -1.533 172.654 174.600 -0.688 0.000 1.140 83 S CA -0.567 57.311 58.200 -0.537 0.000 0.920 83 S CB 0.929 64.001 63.200 -0.213 0.000 1.083 83 S HN 0.605 nan 8.310 nan 0.000 0.476 84 N N 0.726 119.010 118.700 -0.692 0.000 4.409 84 N HA 0.362 5.102 4.740 -0.000 0.000 0.208 84 N C -1.780 173.512 175.510 -0.363 0.000 1.233 84 N CA 0.035 52.817 53.050 -0.448 0.000 0.881 84 N CB 1.514 39.766 38.487 -0.391 0.000 1.507 84 N HN 0.720 nan 8.380 nan 0.000 0.511 85 S N -0.227 115.341 115.700 -0.219 0.000 2.638 85 S HA 0.883 5.353 4.470 -0.000 0.000 0.274 85 S C -1.658 172.868 174.600 -0.124 0.000 1.157 85 S CA -0.449 57.606 58.200 -0.241 0.000 0.826 85 S CB 1.824 64.755 63.200 -0.448 0.000 1.139 85 S HN 0.371 nan 8.310 nan 0.000 0.474 86 V N 0.581 120.429 119.914 -0.110 0.000 3.087 86 V HA 0.541 4.661 4.120 -0.000 0.000 0.306 86 V C -1.251 174.829 176.094 -0.022 0.000 1.187 86 V CA -0.612 61.664 62.300 -0.039 0.000 0.999 86 V CB 2.177 34.002 31.823 0.002 0.000 1.049 86 V HN 1.032 nan 8.190 nan 0.000 0.431 87 E N 1.550 121.757 120.200 0.012 0.000 2.070 87 E HA 0.492 4.842 4.350 -0.000 0.000 0.261 87 E C -0.788 175.862 176.600 0.083 0.000 0.926 87 E CA 0.021 56.450 56.400 0.047 0.000 0.760 87 E CB 1.265 30.986 29.700 0.034 0.000 1.133 87 E HN 0.664 nan 8.360 nan 0.000 0.420 88 T N 2.697 117.334 114.554 0.138 0.000 2.885 88 T HA 0.380 4.730 4.350 -0.000 0.000 0.285 88 T C -0.675 174.157 174.700 0.220 0.000 1.019 88 T CA -0.778 61.416 62.100 0.156 0.000 1.010 88 T CB 0.756 69.716 68.868 0.154 0.000 1.022 88 T HN 0.447 nan 8.240 nan 0.000 0.466 89 R N 5.054 125.657 120.500 0.172 0.000 2.265 89 R HA 0.565 4.905 4.340 -0.000 0.000 0.314 89 R C -0.317 176.114 176.300 0.218 0.000 1.053 89 R CA -0.289 55.923 56.100 0.187 0.000 0.931 89 R CB 0.184 30.551 30.300 0.113 0.000 1.024 89 R HN 0.555 nan 8.270 nan 0.000 0.457 90 I N 2.780 123.542 120.570 0.319 0.000 3.619 90 I HA 0.273 4.443 4.170 -0.000 0.000 0.284 90 I C 1.724 177.942 176.117 0.169 0.000 1.240 90 I CA -0.702 60.745 61.300 0.246 0.000 1.016 90 I CB 1.244 39.393 38.000 0.248 0.000 1.374 90 I HN 0.933 nan 8.210 nan 0.000 0.553 91 G N 0.539 109.406 108.800 0.113 0.000 2.599 91 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 91 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 91 G C 1.120 176.010 174.900 -0.017 0.000 1.193 91 G CA 0.969 46.095 45.100 0.042 0.000 0.778 91 G HN 0.688 nan 8.290 nan 0.000 0.589 92 E N -0.004 120.149 120.200 -0.079 0.000 2.162 92 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 92 E C 0.533 176.823 176.600 -0.517 0.000 0.953 92 E CA 0.590 56.760 56.400 -0.384 0.000 0.849 92 E CB 0.073 29.392 29.700 -0.636 0.000 0.810 92 E HN 0.665 nan 8.360 nan 0.000 0.470 93 H N -1.053 118.075 119.070 0.096 0.000 2.906 93 H HA 0.537 5.093 4.556 -0.000 0.000 0.337 93 H C -0.849 174.432 175.328 -0.077 0.000 1.257 93 H CA -0.906 55.087 56.048 -0.091 0.000 1.192 93 H CB 1.785 31.327 29.762 -0.367 0.000 1.912 93 H HN -0.107 nan 8.280 nan 0.000 0.573 94 L N 1.288 122.478 121.223 -0.055 0.000 2.309 94 L HA 0.472 4.811 4.340 -0.000 0.000 0.282 94 L C -1.480 175.266 176.870 -0.207 0.000 1.036 94 L CA -0.292 54.538 54.840 -0.016 0.000 0.806 94 L CB 0.367 42.431 42.059 0.008 0.000 1.220 94 L HN 0.429 nan 8.230 nan 0.000 0.429 95 F N 1.615 121.640 119.950 0.126 0.000 2.593 95 F HA 0.375 4.902 4.527 -0.000 0.000 0.320 95 F C -0.331 175.507 175.800 0.064 0.000 1.060 95 F CA -0.742 57.337 58.000 0.130 0.000 0.940 95 F CB 1.824 40.958 39.000 0.222 0.000 1.268 95 F HN 0.332 nan 8.300 nan 0.000 0.475 96 D N 2.064 122.624 120.400 0.266 0.000 2.473 96 D HA 0.270 4.910 4.640 -0.000 0.000 0.226 96 D C -0.789 175.496 176.300 -0.025 0.000 1.089 96 D CA 0.044 54.076 54.000 0.053 0.000 0.883 96 D CB 1.585 42.375 40.800 -0.017 0.000 1.029 96 D HN 0.048 nan 8.370 nan 0.000 0.517 97 V N 5.118 124.974 119.914 -0.096 0.000 2.370 97 V HA 0.146 4.266 4.120 -0.000 0.000 0.257 97 V C 0.736 176.624 176.094 -0.343 0.000 1.064 97 V CA -0.407 61.708 62.300 -0.308 0.000 0.975 97 V CB 0.037 31.644 31.823 -0.360 0.000 1.067 97 V HN 0.320 nan 8.190 nan 0.000 0.485 98 I N 2.622 122.981 120.570 -0.352 0.000 2.354 98 I HA 0.887 5.056 4.170 -0.000 0.000 0.292 98 I C 0.378 176.389 176.117 -0.177 0.000 0.989 98 I CA -0.197 60.894 61.300 -0.348 0.000 1.188 98 I CB 1.493 39.247 38.000 -0.410 0.000 1.342 98 I HN 0.536 nan 8.210 nan 0.000 0.457 99 G N 4.847 113.499 108.800 -0.246 0.000 2.533 99 G HA2 0.804 4.764 3.960 -0.000 0.000 0.304 99 G HA3 0.804 4.764 3.960 -0.000 0.000 0.304 99 G C -1.337 173.336 174.900 -0.377 0.000 1.263 99 G CA -0.679 44.329 45.100 -0.154 0.000 0.964 99 G HN 1.056 nan 8.290 nan 0.000 0.479 100 H N -2.285 116.759 119.070 -0.045 0.000 2.987 100 H HA 0.697 5.253 4.556 -0.000 0.000 0.316 100 H C -0.838 174.735 175.328 0.408 0.000 1.380 100 H CA -0.658 55.422 56.048 0.052 0.000 1.160 100 H CB 1.273 31.015 29.762 -0.032 0.000 1.865 100 H HN 0.712 nan 8.280 nan 0.000 0.521 101 S N 1.621 117.432 115.700 0.185 0.000 2.482 101 S HA 0.578 5.048 4.470 -0.000 0.000 0.303 101 S C -1.452 173.200 174.600 0.086 0.000 1.091 101 S CA -0.663 57.411 58.200 -0.209 0.000 1.057 101 S CB 1.448 64.175 63.200 -0.790 0.000 1.031 101 S HN 0.660 nan 8.310 nan 0.000 0.485 102 Y N 2.832 123.143 120.300 0.018 0.000 2.524 102 Y HA 0.472 5.022 4.550 -0.000 0.000 0.347 102 Y C 0.389 176.351 175.900 0.102 0.000 1.005 102 Y CA -0.938 57.228 58.100 0.110 0.000 1.025 102 Y CB 1.012 39.645 38.460 0.288 0.000 1.275 102 Y HN 0.990 nan 8.280 nan 0.000 0.460 103 K N 2.088 122.253 120.400 -0.391 0.000 1.779 103 K HA -0.320 4.000 4.320 -0.000 0.000 0.128 103 K C -0.247 176.270 176.600 -0.138 0.000 1.288 103 K CA 1.952 58.055 56.287 -0.306 0.000 0.398 103 K CB -0.855 31.454 32.500 -0.317 0.000 0.609 103 K HN 0.926 nan 8.250 nan 0.000 0.874 104 E N 0.998 121.136 120.200 -0.104 0.000 2.736 104 E HA 0.300 4.650 4.350 -0.000 0.000 0.208 104 E C -0.873 175.690 176.600 -0.063 0.000 0.996 104 E CA -0.234 56.122 56.400 -0.073 0.000 1.104 104 E CB 0.801 30.481 29.700 -0.034 0.000 1.111 104 E HN 0.149 nan 8.360 nan 0.000 0.455 105 V N 0.858 120.689 119.914 -0.137 0.000 2.769 105 V HA 0.418 4.537 4.120 -0.000 0.000 0.312 105 V C -0.757 175.067 176.094 -0.450 0.000 1.061 105 V CA -0.806 61.368 62.300 -0.209 0.000 0.931 105 V CB 1.444 33.114 31.823 -0.256 0.000 1.010 105 V HN 0.121 nan 8.190 nan 0.000 0.433 106 F N 3.156 122.874 119.950 -0.388 0.000 2.402 106 F HA 0.612 5.139 4.527 -0.000 0.000 0.355 106 F C -0.334 175.230 175.800 -0.394 0.000 1.123 106 F CA -0.576 57.266 58.000 -0.262 0.000 1.021 106 F CB 1.107 40.010 39.000 -0.163 0.000 1.160 106 F HN 0.351 nan 8.300 nan 0.000 0.451 107 Y N 3.587 123.909 120.300 0.035 0.000 2.361 107 Y HA 0.570 5.120 4.550 -0.000 0.000 0.332 107 Y C -0.138 175.820 175.900 0.097 0.000 1.101 107 Y CA -0.916 57.175 58.100 -0.015 0.000 1.137 107 Y CB 1.209 39.562 38.460 -0.178 0.000 1.207 107 Y HN 0.327 nan 8.280 nan 0.000 0.463 108 L N 4.238 125.577 121.223 0.193 0.000 2.366 108 L HA 0.351 4.691 4.340 -0.000 0.000 0.266 108 L C -0.784 176.040 176.870 -0.076 0.000 1.010 108 L CA -0.382 54.468 54.840 0.017 0.000 0.879 108 L CB 0.893 42.925 42.059 -0.045 0.000 1.228 108 L HN 0.708 nan 8.230 nan 0.000 0.439 109 E N 3.401 123.558 120.200 -0.071 0.000 2.227 109 E HA 0.285 4.635 4.350 -0.000 0.000 0.282 109 E C -1.148 175.348 176.600 -0.174 0.000 1.015 109 E CA -0.413 55.988 56.400 0.003 0.000 0.823 109 E CB 1.344 31.091 29.700 0.078 0.000 1.081 109 E HN 0.250 nan 8.360 nan 0.000 0.396 110 F N 2.103 122.084 119.950 0.051 0.000 2.310 110 F HA 0.155 4.682 4.527 -0.000 0.000 0.365 110 F C 0.640 176.600 175.800 0.266 0.000 1.080 110 F CA -0.637 57.386 58.000 0.038 0.000 1.187 110 F CB 0.743 39.599 39.000 -0.240 0.000 1.465 110 F HN 0.407 nan 8.300 nan 0.000 0.496 111 E N 3.303 123.741 120.200 0.397 0.000 2.249 111 E HA 0.286 4.636 4.350 -0.000 0.000 0.280 111 E C -0.258 176.577 176.600 0.392 0.000 1.016 111 E CA -0.734 55.894 56.400 0.379 0.000 0.830 111 E CB 0.943 30.802 29.700 0.265 0.000 1.081 111 E HN 0.301 nan 8.360 nan 0.000 0.395 112 I N 4.779 125.491 120.570 0.237 0.000 2.578 112 I HA 0.031 4.201 4.170 -0.000 0.000 0.286 112 I C 0.772 176.824 176.117 -0.108 0.000 1.126 112 I CA 0.352 61.576 61.300 -0.127 0.000 1.380 112 I CB -0.212 37.673 38.000 -0.192 0.000 1.408 112 I HN 0.592 nan 8.210 nan 0.000 0.532 113 R N 5.161 125.575 120.500 -0.144 0.000 2.347 113 R HA 0.266 4.606 4.340 -0.000 0.000 0.304 113 R C -0.554 175.693 176.300 -0.089 0.000 1.072 113 R CA 0.144 56.208 56.100 -0.061 0.000 0.980 113 R CB 0.538 30.831 30.300 -0.012 0.000 0.986 113 R HN 0.610 nan 8.270 nan 0.000 0.448 114 T N 3.297 117.819 114.554 -0.054 0.000 3.418 114 T HA 0.612 4.962 4.350 -0.000 0.000 0.315 114 T C -1.120 173.563 174.700 -0.028 0.000 1.447 114 T CA -0.123 61.946 62.100 -0.051 0.000 1.641 114 T CB 1.009 69.839 68.868 -0.063 0.000 0.904 114 T HN 0.778 nan 8.240 nan 0.000 0.640 115 A N 1.425 124.235 122.820 -0.016 0.000 2.428 115 A HA 0.673 4.993 4.320 -0.000 0.000 0.304 115 A C -1.803 175.782 177.584 0.001 0.000 1.085 115 A CA -0.879 51.154 52.037 -0.007 0.000 0.605 115 A CB 0.604 19.603 19.000 -0.002 0.000 1.393 115 A HN 0.337 nan 8.150 nan 0.000 0.541 116 D N 0.624 121.027 120.400 0.004 0.000 2.423 116 D HA 0.514 5.154 4.640 -0.000 0.000 0.255 116 D C -0.082 176.227 176.300 0.014 0.000 1.174 116 D CA 0.347 54.352 54.000 0.009 0.000 1.008 116 D CB 0.994 41.799 40.800 0.008 0.000 1.101 116 D HN 0.465 nan 8.370 nan 0.000 0.516 117 T N 1.091 115.655 114.554 0.017 0.000 2.888 117 T HA 0.120 4.470 4.350 -0.000 0.000 0.301 117 T C 0.376 175.091 174.700 0.024 0.000 1.001 117 T CA -0.362 61.750 62.100 0.021 0.000 1.147 117 T CB 0.216 69.095 68.868 0.019 0.000 0.931 117 T HN 0.110 nan 8.240 nan 0.000 0.541 118 L N 4.677 125.920 121.223 0.032 0.000 2.361 118 L HA 0.258 4.598 4.340 -0.000 0.000 0.278 118 L C 0.515 177.413 176.870 0.046 0.000 1.113 118 L CA 0.189 55.056 54.840 0.045 0.000 0.849 118 L CB 0.194 42.295 42.059 0.070 0.000 1.155 118 L HN 0.691 nan 8.230 nan 0.000 0.452 119 S N 5.464 121.192 115.700 0.046 0.000 2.589 119 S HA 0.179 4.649 4.470 -0.000 0.000 0.265 119 S C 1.616 176.261 174.600 0.075 0.000 1.342 119 S CA -0.704 57.522 58.200 0.044 0.000 1.005 119 S CB 0.638 63.859 63.200 0.035 0.000 0.909 119 S HN 0.580 nan 8.310 nan 0.000 0.555 120 I N 0.694 121.300 120.570 0.059 0.000 2.315 120 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 120 I C 2.173 178.376 176.117 0.144 0.000 1.117 120 I CA 1.197 62.550 61.300 0.088 0.000 1.404 120 I CB -2.797 35.229 38.000 0.043 0.000 1.071 120 I HN 0.558 nan 8.210 nan 0.000 0.419 121 T N 1.324 115.928 114.554 0.084 0.000 2.674 121 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 121 T C 2.219 176.950 174.700 0.052 0.000 1.039 121 T CA 1.935 64.071 62.100 0.060 0.000 1.150 121 T CB -0.378 68.510 68.868 0.032 0.000 0.864 121 T HN 0.309 nan 8.240 nan 0.000 0.427 122 S N 1.370 117.101 115.700 0.052 0.000 2.359 122 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 122 S C 1.664 176.276 174.600 0.019 0.000 1.035 122 S CA 1.143 59.357 58.200 0.024 0.000 1.018 122 S CB -0.653 62.564 63.200 0.028 0.000 0.876 122 S HN 0.508 nan 8.310 nan 0.000 0.448 123 F N 2.816 122.734 119.950 -0.054 0.000 2.120 123 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 123 F C 2.301 178.058 175.800 -0.072 0.000 1.095 123 F CA 1.764 59.719 58.000 -0.074 0.000 1.249 123 F CB -0.939 38.025 39.000 -0.059 0.000 0.995 123 F HN 0.132 nan 8.300 nan 0.000 0.480 124 T N 0.730 115.266 114.554 -0.029 0.000 2.821 124 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 124 T C 1.941 176.540 174.700 -0.169 0.000 1.046 124 T CA 1.503 63.539 62.100 -0.106 0.000 1.139 124 T CB -0.449 68.438 68.868 0.031 0.000 0.871 124 T HN 0.330 nan 8.240 nan 0.000 0.454 125 L N 0.596 121.742 121.223 -0.129 0.000 2.375 125 L HA 0.156 4.496 4.340 -0.000 0.000 0.215 125 L C 2.057 178.829 176.870 -0.164 0.000 1.108 125 L CA 0.647 55.416 54.840 -0.120 0.000 0.830 125 L CB -0.256 41.760 42.059 -0.071 0.000 0.959 125 L HN 0.058 nan 8.230 nan 0.000 0.457 126 N N 0.322 118.888 118.700 -0.223 0.000 2.036 126 N HA -0.238 4.502 4.740 -0.000 0.000 0.195 126 N C 1.863 177.190 175.510 -0.304 0.000 1.037 126 N CA 1.857 54.744 53.050 -0.271 0.000 0.855 126 N CB -0.430 37.838 38.487 -0.365 0.000 1.033 126 N HN 0.471 nan 8.380 nan 0.000 0.423 127 A N 0.913 123.482 122.820 -0.419 0.000 1.849 127 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 127 A C 2.042 179.524 177.584 -0.171 0.000 1.202 127 A CA 1.902 53.744 52.037 -0.325 0.000 0.629 127 A CB -0.892 17.870 19.000 -0.397 0.000 0.834 127 A HN 0.438 nan 8.150 nan 0.000 0.447 128 Q N -1.231 118.481 119.800 -0.146 0.000 2.167 128 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 128 Q C 2.306 178.258 176.000 -0.080 0.000 0.970 128 Q CA 1.355 57.107 55.803 -0.085 0.000 0.855 128 Q CB -0.233 28.465 28.738 -0.067 0.000 0.911 128 Q HN 0.730 nan 8.270 nan 0.000 0.438 129 R N 0.742 121.181 120.500 -0.100 0.000 2.083 129 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 129 R C 2.135 178.372 176.300 -0.106 0.000 1.137 129 R CA 1.210 57.256 56.100 -0.090 0.000 0.951 129 R CB -0.138 30.106 30.300 -0.093 0.000 0.851 129 R HN 0.217 nan 8.270 nan 0.000 0.434 130 I N 0.687 121.165 120.570 -0.153 0.000 2.400 130 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 130 I C 2.025 178.033 176.117 -0.182 0.000 1.109 130 I CA 1.004 62.149 61.300 -0.258 0.000 1.425 130 I CB -0.299 37.438 38.000 -0.438 0.000 1.094 130 I HN 0.308 nan 8.210 nan 0.000 0.425 131 I N 1.306 121.843 120.570 -0.054 0.000 2.151 131 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 131 I C 2.768 178.910 176.117 0.041 0.000 1.080 131 I CA 1.488 62.838 61.300 0.084 0.000 1.339 131 I CB -0.678 37.362 38.000 0.067 0.000 1.039 131 I HN 0.183 nan 8.210 nan 0.000 0.409 132 A N 0.125 122.939 122.820 -0.009 0.000 1.958 132 A HA -0.268 4.052 4.320 -0.000 0.000 0.221 132 A C 2.211 179.790 177.584 -0.009 0.000 1.178 132 A CA 1.623 53.649 52.037 -0.018 0.000 0.642 132 A CB -0.491 18.488 19.000 -0.035 0.000 0.816 132 A HN 0.441 nan 8.150 nan 0.000 0.453 133 Q N -0.809 118.991 119.800 0.000 0.000 2.297 133 Q HA -0.005 4.335 4.340 -0.000 0.000 0.204 133 Q C 1.970 178.058 176.000 0.146 0.000 0.962 133 Q CA 0.988 56.824 55.803 0.054 0.000 0.879 133 Q CB -0.478 28.265 28.738 0.009 0.000 0.947 133 Q HN 0.471 nan 8.270 nan 0.000 0.462 134 V N 0.702 120.701 119.914 0.141 0.000 3.461 134 V HA -0.114 4.006 4.120 -0.000 0.000 0.267 134 V C 0.784 176.955 176.094 0.128 0.000 1.186 134 V CA 1.059 63.479 62.300 0.200 0.000 1.154 134 V CB -0.045 31.938 31.823 0.267 0.000 0.802 134 V HN 0.368 nan 8.190 nan 0.000 0.474 135 Q N -1.229 118.595 119.800 0.040 0.000 2.115 135 Q HA 0.358 4.698 4.340 -0.000 0.000 0.249 135 Q C 1.136 177.060 176.000 -0.127 0.000 0.830 135 Q CA -0.095 55.697 55.803 -0.020 0.000 1.104 135 Q CB 0.845 29.576 28.738 -0.011 0.000 1.207 135 Q HN 0.450 nan 8.270 nan 0.000 0.464 136 L N -0.482 120.545 121.223 -0.327 0.000 2.408 136 L HA 0.159 4.499 4.340 -0.000 0.000 0.215 136 L C 0.100 176.640 176.870 -0.550 0.000 1.081 136 L CA 0.681 55.177 54.840 -0.573 0.000 0.840 136 L CB 0.201 41.711 42.059 -0.914 0.000 1.002 136 L HN 0.354 nan 8.230 nan 0.000 0.468 137 H N -2.558 116.521 119.070 0.015 0.000 2.670 137 H HA 0.319 4.875 4.556 -0.000 0.000 0.361 137 H C -0.035 175.299 175.328 0.010 0.000 1.169 137 H CA -0.697 55.359 56.048 0.015 0.000 1.198 137 H CB 0.908 30.683 29.762 0.023 0.000 1.700 137 H HN -0.237 nan 8.280 nan 0.000 0.542 138 N N -0.453 118.324 118.700 0.129 0.000 2.499 138 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 138 N C -0.309 175.242 175.510 0.067 0.000 1.034 138 N CA 0.161 53.253 53.050 0.070 0.000 0.882 138 N CB 0.384 38.896 38.487 0.042 0.000 1.125 138 N HN 0.596 nan 8.380 nan 0.000 0.436 139 D N -0.079 120.366 120.400 0.076 0.000 2.487 139 D HA -0.039 4.601 4.640 -0.000 0.000 0.243 139 D C 1.127 177.458 176.300 0.052 0.000 1.154 139 D CA 0.576 54.608 54.000 0.053 0.000 0.876 139 D CB 0.853 41.677 40.800 0.041 0.000 1.161 139 D HN -0.010 nan 8.370 nan 0.000 0.478 140 T N 2.678 117.263 114.554 0.051 0.000 2.737 140 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 140 T C 1.658 176.410 174.700 0.085 0.000 1.040 140 T CA 1.968 64.107 62.100 0.065 0.000 1.142 140 T CB -0.151 68.778 68.868 0.103 0.000 0.861 140 T HN 0.542 nan 8.240 nan 0.000 0.456 141 A N 0.474 123.331 122.820 0.061 0.000 1.898 141 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 141 A C 2.620 180.196 177.584 -0.013 0.000 1.181 141 A CA 2.056 54.114 52.037 0.034 0.000 0.620 141 A CB -0.749 18.261 19.000 0.017 0.000 0.819 141 A HN 0.576 nan 8.150 nan 0.000 0.442 142 S N 0.451 116.121 115.700 -0.051 0.000 2.348 142 S HA -0.138 4.332 4.470 -0.000 0.000 0.221 142 S C 1.902 176.313 174.600 -0.315 0.000 1.033 142 S CA 1.135 59.231 58.200 -0.173 0.000 1.010 142 S CB -0.685 62.412 63.200 -0.173 0.000 0.891 142 S HN 0.482 nan 8.310 nan 0.000 0.442 143 L N 2.598 123.693 121.223 -0.213 0.000 1.965 143 L HA -0.192 4.148 4.340 -0.000 0.000 0.226 143 L C 2.158 179.044 176.870 0.028 0.000 1.083 143 L CA 2.044 56.844 54.840 -0.066 0.000 0.790 143 L CB -1.338 40.782 42.059 0.102 0.000 0.898 143 L HN 0.361 nan 8.230 nan 0.000 0.439 144 L N -0.255 121.034 121.223 0.109 0.000 2.021 144 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 144 L C 2.839 179.796 176.870 0.145 0.000 1.074 144 L CA 1.900 56.864 54.840 0.206 0.000 0.760 144 L CB -1.062 41.081 42.059 0.140 0.000 0.889 144 L HN 0.441 nan 8.230 nan 0.000 0.433 145 S N -0.300 115.417 115.700 0.028 0.000 2.402 145 S HA -0.202 4.268 4.470 -0.000 0.000 0.233 145 S C 1.666 176.259 174.600 -0.012 0.000 1.030 145 S CA 1.790 59.988 58.200 -0.003 0.000 1.003 145 S CB -0.264 62.906 63.200 -0.050 0.000 0.813 145 S HN 0.485 nan 8.310 nan 0.000 0.477 146 N N 0.016 118.684 118.700 -0.053 0.000 2.197 146 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 146 N C 1.917 177.424 175.510 -0.004 0.000 1.030 146 N CA 1.291 54.320 53.050 -0.035 0.000 0.851 146 N CB -0.335 38.120 38.487 -0.054 0.000 1.003 146 N HN 0.364 nan 8.380 nan 0.000 0.430 147 V N 1.660 121.588 119.914 0.023 0.000 2.392 147 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 147 V C 2.017 178.023 176.094 -0.147 0.000 1.059 147 V CA 2.073 64.323 62.300 -0.083 0.000 1.051 147 V CB -0.935 30.866 31.823 -0.038 0.000 0.658 147 V HN 0.260 nan 8.190 nan 0.000 0.455 148 T N 0.442 115.017 114.554 0.035 0.000 2.597 148 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 148 T C 1.608 176.289 174.700 -0.031 0.000 1.053 148 T CA 2.238 64.374 62.100 0.059 0.000 1.165 148 T CB -0.601 68.358 68.868 0.152 0.000 0.863 148 T HN 0.667 nan 8.240 nan 0.000 0.427 149 D N 0.369 120.758 120.400 -0.018 0.000 2.103 149 D HA -0.108 4.532 4.640 -0.000 0.000 0.190 149 D C 2.245 178.513 176.300 -0.055 0.000 0.997 149 D CA 1.354 55.339 54.000 -0.026 0.000 0.833 149 D CB -0.514 40.277 40.800 -0.015 0.000 0.961 149 D HN 0.365 nan 8.370 nan 0.000 0.447 150 E N 0.417 120.569 120.200 -0.081 0.000 2.118 150 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 150 E C 2.250 178.764 176.600 -0.143 0.000 0.992 150 E CA 0.665 57.002 56.400 -0.104 0.000 0.804 150 E CB -0.383 29.243 29.700 -0.124 0.000 0.741 150 E HN 0.268 nan 8.360 nan 0.000 0.458 151 L N -0.194 120.891 121.223 -0.230 0.000 2.083 151 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 151 L C 2.763 179.552 176.870 -0.134 0.000 1.083 151 L CA 1.478 56.145 54.840 -0.288 0.000 0.752 151 L CB -0.375 41.402 42.059 -0.470 0.000 0.899 151 L HN 0.114 nan 8.230 nan 0.000 0.433 152 R N -0.006 120.448 120.500 -0.076 0.000 2.092 152 R HA -0.069 4.271 4.340 -0.000 0.000 0.231 152 R C 1.389 177.697 176.300 0.014 0.000 1.119 152 R CA 0.685 56.787 56.100 0.003 0.000 0.970 152 R CB 0.134 30.446 30.300 0.020 0.000 0.864 152 R HN 0.234 nan 8.270 nan 0.000 0.440 156 G N 0.748 109.587 108.800 0.064 0.000 2.175 156 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 156 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 156 G C -0.006 174.944 174.900 0.084 0.000 0.982 156 G CA -0.022 45.102 45.100 0.039 0.000 0.641 156 G HN 0.839 nan 8.290 nan 0.000 0.527 157 Y N 1.887 122.190 120.300 0.005 0.000 2.944 157 Y HA 0.042 4.591 4.550 -0.000 0.000 0.340 157 Y C 1.824 177.891 175.900 0.279 0.000 1.275 157 Y CA 1.011 59.196 58.100 0.142 0.000 1.590 157 Y CB 0.473 38.974 38.460 0.068 0.000 1.218 157 Y HN 0.161 nan 8.280 nan 0.000 0.576 158 D N 2.138 122.903 120.400 0.609 0.000 2.265 158 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 158 D C 0.721 177.138 176.300 0.196 0.000 0.977 158 D CA 1.504 55.636 54.000 0.219 0.000 0.871 158 D CB 0.186 40.949 40.800 -0.063 0.000 0.925 158 D HN 0.453 nan 8.370 nan 0.000 0.485 159 R N -0.333 120.330 120.500 0.272 0.000 2.651 159 R HA 0.484 4.824 4.340 -0.000 0.000 0.278 159 R C -1.490 174.875 176.300 0.108 0.000 1.010 159 R CA -0.536 55.664 56.100 0.167 0.000 0.896 159 R CB 2.475 32.871 30.300 0.161 0.000 1.211 159 R HN -0.096 nan 8.270 nan 0.000 0.456 163 Y N 1.604 121.616 120.300 -0.480 0.000 2.341 163 Y HA 0.702 5.251 4.550 -0.000 0.000 0.338 163 Y C 0.342 175.804 175.900 -0.731 0.000 0.965 163 Y CA -0.630 57.120 58.100 -0.584 0.000 1.108 163 Y CB 1.567 39.641 38.460 -0.642 0.000 1.180 163 Y HN 0.781 nan 8.280 nan 0.000 0.458 164 R N 4.555 124.473 120.500 -0.970 0.000 2.460 164 R HA 0.529 4.869 4.340 -0.000 0.000 0.303 164 R C -1.723 173.888 176.300 -1.149 0.000 0.968 164 R CA -0.666 54.834 56.100 -0.999 0.000 0.889 164 R CB 1.079 30.903 30.300 -0.792 0.000 1.123 164 R HN 0.552 nan 8.270 nan 0.000 0.455 165 F N 2.529 122.079 119.950 -0.668 0.000 2.458 165 F HA 0.487 5.014 4.527 -0.000 0.000 0.336 165 F C 0.593 176.166 175.800 -0.379 0.000 1.114 165 F CA -0.755 56.968 58.000 -0.461 0.000 0.987 165 F CB 1.463 40.271 39.000 -0.320 0.000 1.130 165 F HN 0.214 nan 8.300 nan 0.000 0.458 166 R N 0.566 121.014 120.500 -0.085 0.000 2.573 166 R HA 0.213 4.553 4.340 -0.000 0.000 0.272 166 R C 0.725 177.046 176.300 0.034 0.000 1.009 166 R CA -0.909 55.165 56.100 -0.043 0.000 1.059 166 R CB 0.715 30.991 30.300 -0.041 0.000 1.112 166 R HN 0.756 nan 8.270 nan 0.000 0.517 167 H N 1.359 120.422 119.070 -0.012 0.000 2.520 167 H HA -0.143 4.413 4.556 -0.000 0.000 0.295 167 H C 0.533 175.869 175.328 0.013 0.000 1.096 167 H CA 1.982 58.033 56.048 0.005 0.000 1.249 167 H CB 0.150 29.917 29.762 0.009 0.000 1.365 167 H HN 0.583 nan 8.280 nan 0.000 0.556 168 D N -0.515 119.915 120.400 0.049 0.000 2.434 168 D HA -0.022 4.618 4.640 -0.000 0.000 0.232 168 D C -0.060 176.239 176.300 -0.002 0.000 1.166 168 D CA 0.278 54.292 54.000 0.024 0.000 0.830 168 D CB -0.350 40.495 40.800 0.075 0.000 0.960 168 D HN 0.342 nan 8.370 nan 0.000 0.497 169 D N 0.103 120.477 120.400 -0.043 0.000 2.955 169 D HA -0.173 4.467 4.640 -0.000 0.000 0.226 169 D C -0.186 176.180 176.300 0.109 0.000 1.178 169 D CA 1.216 55.210 54.000 -0.010 0.000 0.808 169 D CB -1.410 39.357 40.800 -0.055 0.000 1.099 169 D HN 0.534 nan 8.370 nan 0.000 0.421 170 S N -1.169 114.601 115.700 0.117 0.000 2.722 170 S HA 0.773 5.243 4.470 -0.000 0.000 0.292 170 S C 0.453 175.060 174.600 0.012 0.000 1.135 170 S CA -0.197 58.085 58.200 0.137 0.000 1.003 170 S CB 2.875 66.171 63.200 0.159 0.000 1.067 170 S HN 0.264 nan 8.310 nan 0.000 0.546 171 G N -0.552 108.169 108.800 -0.132 0.000 2.638 171 G HA2 0.570 4.530 3.960 -0.000 0.000 0.302 171 G HA3 0.570 4.530 3.960 -0.000 0.000 0.302 171 G C -1.656 172.745 174.900 -0.831 0.000 1.365 171 G CA -0.693 43.937 45.100 -0.784 0.000 0.987 171 G HN 0.831 nan 8.290 nan 0.000 0.495 172 E N 1.069 120.554 120.200 -1.192 0.000 2.293 172 E HA 0.543 4.893 4.350 -0.000 0.000 0.270 172 E C -1.256 175.027 176.600 -0.527 0.000 0.879 172 E CA -0.735 55.295 56.400 -0.617 0.000 0.756 172 E CB 2.563 32.000 29.700 -0.439 0.000 1.208 172 E HN 0.239 nan 8.360 nan 0.000 0.428 173 V N 5.122 124.980 119.914 -0.092 0.000 2.334 173 V HA 0.141 4.261 4.120 -0.000 0.000 0.267 173 V C 0.663 176.717 176.094 -0.068 0.000 1.040 173 V CA -0.286 62.032 62.300 0.029 0.000 0.866 173 V CB 0.941 32.843 31.823 0.133 0.000 1.019 173 V HN 0.641 nan 8.190 nan 0.000 0.468 174 V N 2.056 121.905 119.914 -0.107 0.000 3.085 174 V HA 0.893 5.013 4.120 -0.000 0.000 0.345 174 V C 0.271 176.331 176.094 -0.057 0.000 1.397 174 V CA 0.302 62.542 62.300 -0.101 0.000 1.165 174 V CB 0.220 31.957 31.823 -0.142 0.000 1.153 174 V HN 0.943 nan 8.190 nan 0.000 0.495 175 A N -0.074 122.727 122.820 -0.032 0.000 2.573 175 A HA 0.753 5.073 4.320 -0.000 0.000 0.299 175 A C -1.026 176.566 177.584 0.015 0.000 1.060 175 A CA -0.273 51.764 52.037 -0.001 0.000 0.736 175 A CB 1.454 20.469 19.000 0.025 0.000 1.280 175 A HN 0.449 nan 8.150 nan 0.000 0.401 176 E N 0.370 120.581 120.200 0.018 0.000 2.392 176 E HA 0.705 5.055 4.350 -0.000 0.000 0.279 176 E C -1.578 175.034 176.600 0.020 0.000 0.964 176 E CA -0.354 56.059 56.400 0.023 0.000 0.777 176 E CB 2.095 31.812 29.700 0.029 0.000 1.249 176 E HN 0.914 nan 8.360 nan 0.000 0.449 177 S N 2.583 118.297 115.700 0.024 0.000 2.706 177 S HA 0.470 4.940 4.470 -0.000 0.000 0.270 177 S C -1.432 173.190 174.600 0.036 0.000 1.163 177 S CA -0.726 57.487 58.200 0.022 0.000 1.042 177 S CB 0.469 63.677 63.200 0.015 0.000 1.079 177 S HN 0.562 nan 8.310 nan 0.000 0.474 178 R N 2.573 123.093 120.500 0.033 0.000 2.836 178 R HA 0.589 4.928 4.340 -0.000 0.000 0.269 178 R C -0.762 175.558 176.300 0.033 0.000 1.010 178 R CA -1.249 54.878 56.100 0.046 0.000 0.930 178 R CB 1.112 31.437 30.300 0.042 0.000 1.218 178 R HN 0.515 nan 8.270 nan 0.000 0.473 179 R N 1.000 121.522 120.500 0.037 0.000 2.347 179 R HA 0.031 4.371 4.340 -0.000 0.000 0.304 179 R C 0.025 176.327 176.300 0.004 0.000 1.072 179 R CA 0.151 56.262 56.100 0.018 0.000 0.980 179 R CB 0.720 31.027 30.300 0.011 0.000 0.986 179 R HN 0.810 nan 8.270 nan 0.000 0.448 180 E N 2.437 122.634 120.200 -0.005 0.000 2.204 180 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 180 E C 0.590 177.176 176.600 -0.023 0.000 0.990 180 E CA 1.379 57.769 56.400 -0.016 0.000 0.821 180 E CB 0.072 29.763 29.700 -0.015 0.000 0.750 180 E HN 0.695 nan 8.360 nan 0.000 0.477 181 D N 0.705 121.095 120.400 -0.018 0.000 2.357 181 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 181 D C 0.362 176.647 176.300 -0.025 0.000 0.973 181 D CA 0.927 54.916 54.000 -0.020 0.000 0.912 181 D CB -0.208 40.582 40.800 -0.016 0.000 0.900 181 D HN 0.235 nan 8.370 nan 0.000 0.501 182 L N 1.330 122.537 121.223 -0.027 0.000 2.322 182 L HA 0.262 4.602 4.340 -0.000 0.000 0.279 182 L C 0.659 177.469 176.870 -0.102 0.000 1.036 182 L CA -1.128 53.692 54.840 -0.034 0.000 0.807 182 L CB 1.244 43.311 42.059 0.013 0.000 1.226 182 L HN -0.097 nan 8.230 nan 0.000 0.433 183 E N 0.975 121.079 120.200 -0.161 0.000 2.437 183 E HA 0.092 4.442 4.350 -0.000 0.000 0.263 183 E C -0.300 176.002 176.600 -0.497 0.000 1.030 183 E CA -0.315 55.911 56.400 -0.290 0.000 0.934 183 E CB 0.701 30.223 29.700 -0.297 0.000 0.943 183 E HN 0.491 nan 8.360 nan 0.000 0.444 184 S N 1.877 117.337 115.700 -0.401 0.000 2.554 184 S HA 0.185 4.654 4.470 -0.000 0.000 0.278 184 S C -0.430 173.908 174.600 -0.436 0.000 1.242 184 S CA -0.582 57.413 58.200 -0.340 0.000 1.051 184 S CB 0.354 63.458 63.200 -0.160 0.000 0.986 184 S HN 0.544 nan 8.310 nan 0.000 0.502 185 Y N 2.804 123.091 120.300 -0.021 0.000 2.444 185 Y HA 0.390 4.940 4.550 -0.000 0.000 0.249 185 Y C 0.867 176.743 175.900 -0.040 0.000 1.134 185 Y CA -0.552 57.538 58.100 -0.016 0.000 1.261 185 Y CB 0.048 38.514 38.460 0.009 0.000 1.143 185 Y HN 0.543 nan 8.280 nan 0.000 0.523 186 L N 0.658 121.917 121.223 0.059 0.000 2.653 186 L HA -0.014 4.326 4.340 -0.000 0.000 0.288 186 L C 1.342 178.183 176.870 -0.049 0.000 1.243 186 L CA 1.553 56.392 54.840 -0.001 0.000 0.906 186 L CB 0.192 42.234 42.059 -0.029 0.000 1.154 186 L HN 0.643 nan 8.230 nan 0.000 0.498 187 G N 3.376 112.128 108.800 -0.080 0.000 2.136 187 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 187 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 187 G C -0.088 174.671 174.900 -0.236 0.000 0.989 187 G CA 0.166 45.174 45.100 -0.154 0.000 0.682 187 G HN 0.511 nan 8.290 nan 0.000 0.522 188 L N -0.393 120.736 121.223 -0.157 0.000 2.439 188 L HA 0.821 5.161 4.340 -0.000 0.000 0.259 188 L C 0.803 177.509 176.870 -0.274 0.000 1.129 188 L CA -0.893 53.777 54.840 -0.284 0.000 0.803 188 L CB 0.893 42.937 42.059 -0.024 0.000 1.161 188 L HN 0.214 nan 8.230 nan 0.000 0.462 189 R N 2.277 122.417 120.500 -0.600 0.000 2.522 189 R HA 0.433 4.772 4.340 -0.000 0.000 0.283 189 R C -1.921 174.139 176.300 -0.400 0.000 1.074 189 R CA -0.617 55.192 56.100 -0.485 0.000 0.925 189 R CB 1.814 31.503 30.300 -1.018 0.000 1.205 189 R HN 0.465 nan 8.270 nan 0.000 0.436 190 Y N 1.595 121.870 120.300 -0.041 0.000 2.545 190 Y HA 0.493 5.043 4.550 -0.000 0.000 0.348 190 Y C -2.128 173.882 175.900 0.183 0.000 1.002 190 Y CA -2.911 55.272 58.100 0.137 0.000 1.039 190 Y CB 1.605 40.179 38.460 0.190 0.000 1.271 190 Y HN 0.361 nan 8.280 nan 0.000 0.467 191 P HA 0.064 nan 4.420 nan 0.000 0.274 191 P C 0.191 177.634 177.300 0.239 0.000 1.260 191 P CA 0.074 63.357 63.100 0.304 0.000 0.793 191 P CB 0.697 32.543 31.700 0.244 0.000 1.048 192 A N 0.405 123.328 122.820 0.172 0.000 2.015 192 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 192 A C 1.980 179.626 177.584 0.103 0.000 1.163 192 A CA 1.926 54.039 52.037 0.126 0.000 0.646 192 A CB -1.784 17.257 19.000 0.068 0.000 0.806 192 A HN 0.592 nan 8.150 nan 0.000 0.448 193 S N -0.121 115.644 115.700 0.109 0.000 2.507 193 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 193 S C 0.963 175.619 174.600 0.094 0.000 0.988 193 S CA 1.208 59.462 58.200 0.089 0.000 0.944 193 S CB -0.330 62.923 63.200 0.089 0.000 0.762 193 S HN 0.476 nan 8.310 nan 0.000 0.526 194 D N 1.363 121.835 120.400 0.120 0.000 2.277 194 D HA 0.204 4.844 4.640 -0.000 0.000 0.208 194 D C 0.283 176.586 176.300 0.006 0.000 0.962 194 D CA 0.639 54.683 54.000 0.073 0.000 0.865 194 D CB 0.052 40.916 40.800 0.106 0.000 0.939 194 D HN 0.477 nan 8.370 nan 0.000 0.510 195 I N 1.601 122.199 120.570 0.047 0.000 2.466 195 I HA 0.253 4.423 4.170 -0.000 0.000 0.279 195 I C -2.433 173.698 176.117 0.023 0.000 1.033 195 I CA -2.064 59.259 61.300 0.038 0.000 1.123 195 I CB 1.898 39.942 38.000 0.073 0.000 1.237 195 I HN -0.358 nan 8.210 nan 0.000 0.460 196 P HA 0.049 nan 4.420 nan 0.000 0.270 196 P C 0.858 178.131 177.300 -0.046 0.000 1.227 196 P CA 0.023 63.116 63.100 -0.012 0.000 0.788 196 P CB 0.928 32.621 31.700 -0.012 0.000 0.926 197 A N 1.298 124.086 122.820 -0.053 0.000 1.948 197 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 197 A C 2.104 179.615 177.584 -0.122 0.000 1.177 197 A CA 1.885 53.874 52.037 -0.080 0.000 0.636 197 A CB -1.271 17.689 19.000 -0.066 0.000 0.815 197 A HN 0.634 nan 8.150 nan 0.000 0.449 198 Q N -1.009 118.713 119.800 -0.129 0.000 2.083 198 Q HA 0.028 4.368 4.340 -0.000 0.000 0.198 198 Q C 2.477 178.301 176.000 -0.293 0.000 0.969 198 Q CA 1.059 56.746 55.803 -0.194 0.000 0.838 198 Q CB -0.372 28.274 28.738 -0.153 0.000 0.900 198 Q HN 0.686 nan 8.270 nan 0.000 0.436 199 A N 1.372 124.024 122.820 -0.282 0.000 1.859 199 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 199 A C 1.993 179.177 177.584 -0.668 0.000 1.209 199 A CA 1.882 53.595 52.037 -0.540 0.000 0.639 199 A CB -0.715 18.230 19.000 -0.092 0.000 0.835 199 A HN 0.249 nan 8.150 nan 0.000 0.450 200 R N -1.196 119.219 120.500 -0.143 0.000 2.097 200 R HA -0.178 4.161 4.340 -0.000 0.000 0.236 200 R C 2.537 178.748 176.300 -0.148 0.000 1.135 200 R CA 1.805 57.879 56.100 -0.043 0.000 0.934 200 R CB -0.268 29.960 30.300 -0.120 0.000 0.846 200 R HN 0.418 nan 8.270 nan 0.000 0.431 201 R N 0.467 120.854 120.500 -0.188 0.000 2.117 201 R HA -0.171 4.169 4.340 -0.000 0.000 0.243 201 R C 2.338 178.505 176.300 -0.222 0.000 1.143 201 R CA 1.177 57.170 56.100 -0.177 0.000 0.968 201 R CB -0.804 29.394 30.300 -0.171 0.000 0.863 201 R HN 0.367 nan 8.270 nan 0.000 0.444 202 L N -0.390 120.625 121.223 -0.346 0.000 2.027 202 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 202 L C 2.070 178.743 176.870 -0.327 0.000 1.074 202 L CA 1.209 55.802 54.840 -0.410 0.000 0.745 202 L CB -0.408 41.324 42.059 -0.545 0.000 0.898 202 L HN 0.102 nan 8.230 nan 0.000 0.433 203 Y N -0.339 119.868 120.300 -0.155 0.000 2.465 203 Y HA -0.238 4.312 4.550 -0.000 0.000 0.289 203 Y C 2.228 178.061 175.900 -0.112 0.000 1.150 203 Y CA 0.907 58.930 58.100 -0.129 0.000 1.293 203 Y CB -0.724 37.660 38.460 -0.127 0.000 0.977 203 Y HN 0.216 nan 8.280 nan 0.000 0.556 204 I N -1.035 119.524 120.570 -0.018 0.000 2.339 204 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 204 I C 2.241 178.330 176.117 -0.046 0.000 1.096 204 I CA 0.816 62.099 61.300 -0.029 0.000 1.408 204 I CB -0.274 37.696 38.000 -0.051 0.000 1.092 204 I HN 0.168 nan 8.210 nan 0.000 0.423 205 Q N 0.622 120.359 119.800 -0.106 0.000 1.942 205 Q HA -0.076 4.264 4.340 -0.000 0.000 0.203 205 Q C 0.565 176.498 176.000 -0.111 0.000 0.987 205 Q CA 0.887 56.619 55.803 -0.118 0.000 0.844 205 Q CB -0.113 28.454 28.738 -0.286 0.000 0.911 205 Q HN 0.397 nan 8.270 nan 0.000 0.423 206 N N 1.444 120.017 118.700 -0.212 0.000 2.420 206 N HA 0.032 4.772 4.740 -0.000 0.000 0.262 206 N C -2.044 173.454 175.510 -0.021 0.000 1.144 206 N CA -0.816 52.159 53.050 -0.125 0.000 0.952 206 N CB 1.239 39.617 38.487 -0.181 0.000 1.081 206 N HN 0.059 nan 8.380 nan 0.000 0.480 207 P HA 0.019 nan 4.420 nan 0.000 0.218 207 P C 0.155 177.487 177.300 0.054 0.000 1.149 207 P CA 1.222 64.341 63.100 0.032 0.000 0.817 207 P CB 0.523 32.240 31.700 0.029 0.000 0.785 208 I N -0.081 120.516 120.570 0.046 0.000 2.608 208 I HA 0.380 4.550 4.170 -0.000 0.000 0.295 208 I C 0.118 176.270 176.117 0.058 0.000 1.049 208 I CA -1.177 60.159 61.300 0.059 0.000 1.063 208 I CB 2.288 40.329 38.000 0.068 0.000 1.248 208 I HN -0.195 nan 8.210 nan 0.000 0.424 209 R N 6.351 126.892 120.500 0.068 0.000 2.744 209 R HA 0.702 5.042 4.340 -0.000 0.000 0.279 209 R C -1.737 174.612 176.300 0.080 0.000 0.977 209 R CA -0.857 55.290 56.100 0.079 0.000 0.906 209 R CB 2.575 32.948 30.300 0.122 0.000 1.197 209 R HN 0.595 nan 8.270 nan 0.000 0.463 210 L N 3.227 124.507 121.223 0.095 0.000 2.385 210 L HA 0.603 4.943 4.340 -0.000 0.000 0.273 210 L C -1.156 175.783 176.870 0.116 0.000 0.990 210 L CA -0.994 53.913 54.840 0.113 0.000 0.821 210 L CB 1.775 43.904 42.059 0.117 0.000 1.279 210 L HN 0.631 nan 8.230 nan 0.000 0.412 211 I N 3.814 124.455 120.570 0.117 0.000 2.447 211 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 211 I C 0.490 176.657 176.117 0.083 0.000 1.023 211 I CA -0.273 61.084 61.300 0.095 0.000 1.083 211 I CB 2.049 40.119 38.000 0.118 0.000 1.245 211 I HN 0.714 nan 8.210 nan 0.000 0.434 212 A N 3.819 126.667 122.820 0.047 0.000 1.942 212 A HA 0.116 4.436 4.320 -0.000 0.000 0.209 212 A C 0.518 178.134 177.584 0.053 0.000 1.214 212 A CA 0.827 52.867 52.037 0.005 0.000 0.686 212 A CB 0.193 19.123 19.000 -0.116 0.000 0.871 212 A HN 0.675 nan 8.150 nan 0.000 0.460 213 D N -0.618 119.841 120.400 0.098 0.000 2.620 213 D HA 0.406 5.046 4.640 -0.000 0.000 0.252 213 D C 0.709 177.157 176.300 0.247 0.000 1.207 213 D CA -0.298 53.790 54.000 0.146 0.000 0.884 213 D CB 1.975 42.874 40.800 0.165 0.000 1.262 213 D HN -0.086 nan 8.370 nan 0.000 0.552 214 V N 3.106 123.128 119.914 0.181 0.000 2.427 214 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 214 V C 2.152 178.357 176.094 0.186 0.000 1.051 214 V CA 1.873 64.293 62.300 0.200 0.000 1.048 214 V CB -0.524 31.336 31.823 0.061 0.000 0.666 214 V HN 0.683 nan 8.190 nan 0.000 0.456 215 A N 0.001 122.887 122.820 0.111 0.000 2.276 215 A HA 0.138 4.458 4.320 -0.000 0.000 0.212 215 A C 0.823 178.418 177.584 0.018 0.000 1.230 215 A CA -0.414 51.638 52.037 0.025 0.000 0.844 215 A CB -1.102 17.908 19.000 0.018 0.000 0.860 215 A HN 0.694 nan 8.150 nan 0.000 0.486 216 Y N -0.933 119.389 120.300 0.035 0.000 2.805 216 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 216 Y C 0.401 176.321 175.900 0.034 0.000 1.241 216 Y CA 0.125 58.251 58.100 0.042 0.000 1.546 216 Y CB -0.241 38.255 38.460 0.060 0.000 1.248 216 Y HN -0.004 nan 8.280 nan 0.000 0.559 217 T N 8.158 122.669 114.554 -0.072 0.000 2.723 217 T HA 0.357 4.707 4.350 -0.000 0.000 0.297 217 T C -2.067 172.635 174.700 0.003 0.000 0.925 217 T CA -1.643 60.368 62.100 -0.147 0.000 1.030 217 T CB -0.087 68.749 68.868 -0.054 0.000 0.905 217 T HN 0.653 nan 8.240 nan 0.000 0.502 221 V N -0.264 119.331 119.914 -0.531 0.000 2.409 221 V HA 0.759 4.879 4.120 -0.000 0.000 0.291 221 V C -1.216 174.581 176.094 -0.494 0.000 1.020 221 V CA -0.516 61.531 62.300 -0.422 0.000 0.848 221 V CB 0.951 32.645 31.823 -0.216 0.000 0.990 221 V HN 0.550 nan 8.190 nan 0.000 0.430 222 F N 5.302 125.273 119.950 0.035 0.000 2.469 222 F HA 0.781 5.308 4.527 -0.000 0.000 0.332 222 F C -2.244 173.593 175.800 0.061 0.000 1.103 222 F CA -2.830 55.206 58.000 0.060 0.000 0.979 222 F CB 1.670 40.699 39.000 0.048 0.000 1.137 222 F HN 0.346 nan 8.300 nan 0.000 0.463 223 P HA 0.177 nan 4.420 nan 0.000 0.276 223 P C 0.164 177.669 177.300 0.343 0.000 1.230 223 P CA -0.169 63.132 63.100 0.336 0.000 0.776 223 P CB 1.154 33.014 31.700 0.265 0.000 0.888 224 A N 3.528 126.524 122.820 0.292 0.000 2.139 224 A HA -0.087 4.233 4.320 -0.000 0.000 0.221 224 A C 0.744 178.472 177.584 0.240 0.000 1.159 224 A CA 1.258 53.422 52.037 0.213 0.000 0.662 224 A CB -0.887 18.214 19.000 0.168 0.000 0.796 224 A HN 0.562 nan 8.150 nan 0.000 0.463 225 L N -0.884 120.471 121.223 0.220 0.000 2.408 225 L HA 0.436 4.776 4.340 -0.000 0.000 0.268 225 L C -0.836 176.005 176.870 -0.049 0.000 0.986 225 L CA -0.882 53.982 54.840 0.041 0.000 0.820 225 L CB 1.863 43.933 42.059 0.019 0.000 1.303 225 L HN 0.153 nan 8.230 nan 0.000 0.411 226 N N 5.489 123.902 118.700 -0.479 0.000 2.406 226 N HA 0.305 5.045 4.740 -0.000 0.000 0.251 226 N C -2.073 173.308 175.510 -0.214 0.000 1.069 226 N CA -2.108 50.606 53.050 -0.559 0.000 0.947 226 N CB 1.469 39.207 38.487 -1.249 0.000 1.111 226 N HN 0.324 nan 8.380 nan 0.000 0.497 227 P HA -0.164 nan 4.420 nan 0.000 0.216 227 P C 0.716 177.986 177.300 -0.050 0.000 1.154 227 P CA 1.270 64.352 63.100 -0.030 0.000 0.865 227 P CB 0.350 32.056 31.700 0.009 0.000 0.789 228 E N -1.608 118.556 120.200 -0.059 0.000 2.204 228 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 228 E C 1.592 178.151 176.600 -0.068 0.000 0.990 228 E CA 1.356 57.724 56.400 -0.052 0.000 0.821 228 E CB -0.709 28.965 29.700 -0.044 0.000 0.750 228 E HN 0.237 nan 8.360 nan 0.000 0.477 229 T N -1.090 113.401 114.554 -0.106 0.000 3.087 229 T HA 0.066 4.416 4.350 -0.000 0.000 0.283 229 T C 0.387 175.026 174.700 -0.101 0.000 0.956 229 T CA 0.384 62.421 62.100 -0.104 0.000 0.894 229 T CB -0.063 68.728 68.868 -0.129 0.000 1.160 229 T HN 0.036 nan 8.240 nan 0.000 0.532 230 N N 1.230 119.870 118.700 -0.101 0.000 2.857 230 N HA -0.162 4.578 4.740 -0.000 0.000 0.242 230 N C -0.490 174.969 175.510 -0.085 0.000 0.983 230 N CA 1.758 54.763 53.050 -0.075 0.000 0.934 230 N CB -0.659 37.800 38.487 -0.047 0.000 1.115 230 N HN 0.690 nan 8.380 nan 0.000 0.593 231 E N -0.507 119.618 120.200 -0.126 0.000 2.244 231 E HA 0.475 4.825 4.350 -0.000 0.000 0.266 231 E C -0.421 176.059 176.600 -0.200 0.000 0.914 231 E CA -0.736 55.591 56.400 -0.121 0.000 0.794 231 E CB 1.604 31.247 29.700 -0.095 0.000 1.210 231 E HN 0.163 nan 8.360 nan 0.000 0.414 232 S N 0.901 116.520 115.700 -0.134 0.000 2.580 232 S HA 0.138 4.608 4.470 -0.000 0.000 0.266 232 S C -0.510 174.010 174.600 -0.134 0.000 1.354 232 S CA -0.412 57.719 58.200 -0.115 0.000 1.008 232 S CB 0.173 63.365 63.200 -0.015 0.000 0.898 232 S HN 0.281 nan 8.310 nan 0.000 0.555 233 F N 1.828 121.815 119.950 0.062 0.000 2.443 233 F HA 0.192 4.719 4.527 -0.000 0.000 0.353 233 F C 1.018 176.895 175.800 0.128 0.000 1.101 233 F CA -0.275 57.811 58.000 0.144 0.000 1.226 233 F CB 0.466 39.604 39.000 0.230 0.000 1.140 233 F HN 0.433 nan 8.300 nan 0.000 0.557 234 D N 4.487 125.104 120.400 0.361 0.000 2.441 234 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 234 D C 0.246 176.696 176.300 0.250 0.000 1.156 234 D CA -0.026 54.152 54.000 0.298 0.000 0.896 234 D CB 0.510 41.505 40.800 0.326 0.000 1.028 234 D HN 0.512 nan 8.370 nan 0.000 0.509 235 L N 2.817 124.097 121.223 0.095 0.000 2.672 235 L HA 0.038 4.378 4.340 -0.000 0.000 0.236 235 L C 2.149 179.004 176.870 -0.025 0.000 1.186 235 L CA -0.191 54.609 54.840 -0.066 0.000 0.977 235 L CB -0.199 41.830 42.059 -0.051 0.000 1.203 235 L HN 0.217 nan 8.230 nan 0.000 0.448 236 S N -0.201 115.541 115.700 0.071 0.000 2.369 236 S HA -0.233 4.237 4.470 -0.000 0.000 0.225 236 S C 1.495 175.851 174.600 -0.406 0.000 1.043 236 S CA 1.833 59.939 58.200 -0.157 0.000 1.074 236 S CB -0.301 62.780 63.200 -0.199 0.000 0.962 236 S HN 0.506 nan 8.310 nan 0.000 0.433 237 Y N 1.207 121.377 120.300 -0.216 0.000 2.490 237 Y HA 0.307 4.857 4.550 -0.000 0.000 0.281 237 Y C 1.310 177.000 175.900 -0.351 0.000 1.174 237 Y CA -0.236 57.674 58.100 -0.316 0.000 1.295 237 Y CB -0.055 38.151 38.460 -0.424 0.000 1.062 237 Y HN 0.101 nan 8.280 nan 0.000 0.522 238 S N -0.160 115.492 115.700 -0.079 0.000 2.533 238 S HA 0.070 4.540 4.470 -0.000 0.000 0.282 238 S C 1.350 175.923 174.600 -0.046 0.000 1.304 238 S CA -0.411 57.771 58.200 -0.030 0.000 1.063 238 S CB 0.864 64.036 63.200 -0.047 0.000 0.881 238 S HN 0.149 nan 8.310 nan 0.000 0.493 239 V N 6.136 126.048 119.914 -0.003 0.000 2.307 239 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 239 V C 1.991 178.111 176.094 0.043 0.000 1.045 239 V CA 1.819 64.143 62.300 0.040 0.000 1.024 239 V CB -0.613 31.273 31.823 0.104 0.000 0.651 239 V HN 0.869 nan 8.190 nan 0.000 0.449 240 L N -0.371 120.863 121.223 0.018 0.000 2.599 240 L HA 0.111 4.451 4.340 -0.000 0.000 0.230 240 L C 1.351 178.180 176.870 -0.068 0.000 1.141 240 L CA 0.004 54.809 54.840 -0.059 0.000 0.877 240 L CB -0.467 41.538 42.059 -0.089 0.000 1.009 240 L HN 0.206 nan 8.230 nan 0.000 0.447 241 R N 2.042 122.520 120.500 -0.035 0.000 2.478 241 R HA -0.092 4.248 4.340 -0.000 0.000 0.281 241 R C 0.605 176.890 176.300 -0.025 0.000 0.939 241 R CA 0.288 56.370 56.100 -0.030 0.000 1.120 241 R CB 0.402 30.682 30.300 -0.035 0.000 0.885 241 R HN 0.267 nan 8.270 nan 0.000 0.415 242 S N 2.945 118.647 115.700 0.004 0.000 2.585 242 S HA 0.206 4.676 4.470 -0.000 0.000 0.273 242 S C 0.081 174.748 174.600 0.113 0.000 1.339 242 S CA -0.970 57.269 58.200 0.065 0.000 1.028 242 S CB 1.485 64.778 63.200 0.155 0.000 0.906 242 S HN 0.358 nan 8.310 nan 0.000 0.528 243 V N 2.999 123.037 119.914 0.206 0.000 2.644 243 V HA 0.409 4.529 4.120 -0.000 0.000 0.295 243 V C 0.916 177.141 176.094 0.218 0.000 1.053 243 V CA -0.657 61.771 62.300 0.213 0.000 0.987 243 V CB 1.529 33.518 31.823 0.278 0.000 1.006 243 V HN 1.091 nan 8.190 nan 0.000 0.472 244 S N 4.667 120.466 115.700 0.165 0.000 2.558 244 S HA 0.054 4.524 4.470 -0.000 0.000 0.291 244 S C -1.314 173.374 174.600 0.146 0.000 1.306 244 S CA -0.483 57.797 58.200 0.135 0.000 1.056 244 S CB 0.716 63.985 63.200 0.116 0.000 0.836 244 S HN 0.630 nan 8.310 nan 0.000 0.504 245 P HA -0.104 nan 4.420 nan 0.000 0.215 245 P C 1.502 178.851 177.300 0.081 0.000 1.153 245 P CA 0.840 63.974 63.100 0.057 0.000 0.853 245 P CB -0.001 31.716 31.700 0.029 0.000 0.788 246 I N -0.923 119.709 120.570 0.103 0.000 2.208 246 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 246 I C 2.341 178.564 176.117 0.178 0.000 1.097 246 I CA 1.903 63.278 61.300 0.124 0.000 1.363 246 I CB -1.710 36.359 38.000 0.115 0.000 1.051 246 I HN 0.108 nan 8.210 nan 0.000 0.413 247 H N 0.189 119.305 119.070 0.077 0.000 2.462 247 H HA -0.079 4.477 4.556 -0.000 0.000 0.292 247 H C 2.286 177.687 175.328 0.122 0.000 1.049 247 H CA 1.525 57.608 56.048 0.058 0.000 1.334 247 H CB 0.040 29.809 29.762 0.011 0.000 1.404 247 H HN 0.267 nan 8.280 nan 0.000 0.544 248 C N 0.151 119.453 119.300 0.004 0.000 2.508 248 C HA -0.065 4.395 4.460 -0.000 0.000 0.280 248 C C 2.570 177.552 174.990 -0.014 0.000 1.262 248 C CA 1.007 59.999 59.018 -0.044 0.000 1.706 248 C CB -0.673 27.081 27.740 0.024 0.000 2.078 248 C HN 0.750 nan 8.230 nan 0.000 0.480 249 E N -0.424 119.793 120.200 0.028 0.000 2.136 249 E HA -0.332 4.018 4.350 -0.000 0.000 0.202 249 E C 1.817 178.443 176.600 0.043 0.000 1.019 249 E CA 1.951 58.370 56.400 0.032 0.000 0.819 249 E CB -0.330 29.400 29.700 0.050 0.000 0.739 249 E HN 0.787 nan 8.360 nan 0.000 0.458 250 Y N 0.758 121.026 120.300 -0.053 0.000 2.060 250 Y HA -0.237 4.313 4.550 -0.000 0.000 0.276 250 Y C 2.245 178.088 175.900 -0.095 0.000 1.127 250 Y CA 2.048 60.119 58.100 -0.048 0.000 1.104 250 Y CB -0.394 38.054 38.460 -0.021 0.000 0.983 250 Y HN 0.009 nan 8.280 nan 0.000 0.483 251 L N -0.207 121.077 121.223 0.103 0.000 2.051 251 L HA -0.312 4.028 4.340 -0.000 0.000 0.214 251 L C 2.539 179.375 176.870 -0.057 0.000 1.076 251 L CA 2.178 57.001 54.840 -0.028 0.000 0.758 251 L CB -1.139 40.798 42.059 -0.202 0.000 0.890 251 L HN 0.499 nan 8.230 nan 0.000 0.433 252 T N -3.276 111.248 114.554 -0.050 0.000 2.821 252 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 252 T C 1.149 175.821 174.700 -0.047 0.000 1.046 252 T CA 0.335 62.412 62.100 -0.038 0.000 1.139 252 T CB -0.486 68.367 68.868 -0.025 0.000 0.871 252 T HN 0.185 nan 8.240 nan 0.000 0.454 256 V N 0.483 120.388 119.914 -0.016 0.000 2.623 256 V HA 0.505 4.625 4.120 -0.000 0.000 0.304 256 V C 0.699 176.774 176.094 -0.031 0.000 1.054 256 V CA -0.800 61.480 62.300 -0.033 0.000 0.882 256 V CB 1.895 33.646 31.823 -0.120 0.000 1.002 256 V HN 0.434 nan 8.190 nan 0.000 0.424 257 R N 1.833 122.334 120.500 0.002 0.000 2.307 257 R HA 0.620 4.960 4.340 -0.000 0.000 0.200 257 R C 0.370 176.702 176.300 0.054 0.000 0.893 257 R CA 0.664 56.781 56.100 0.028 0.000 1.042 257 R CB 1.208 31.528 30.300 0.033 0.000 1.059 257 R HN 0.793 nan 8.270 nan 0.000 0.530 258 A N 0.090 122.952 122.820 0.070 0.000 2.515 258 A HA 0.634 4.954 4.320 -0.000 0.000 0.298 258 A C -0.929 176.773 177.584 0.198 0.000 1.059 258 A CA -0.471 51.638 52.037 0.121 0.000 0.698 258 A CB 2.028 21.093 19.000 0.107 0.000 1.289 258 A HN 0.015 nan 8.150 nan 0.000 0.404 262 I N 2.440 123.038 120.570 0.046 0.000 2.359 262 I HA 0.422 4.592 4.170 -0.000 0.000 0.294 262 I C 0.531 176.732 176.117 0.140 0.000 0.987 262 I CA -0.405 60.967 61.300 0.120 0.000 1.225 262 I CB 1.548 39.666 38.000 0.196 0.000 1.366 262 I HN 0.489 nan 8.210 nan 0.000 0.466 263 S N 6.694 122.449 115.700 0.093 0.000 2.586 263 S HA 0.594 5.064 4.470 -0.000 0.000 0.274 263 S C -0.030 174.615 174.600 0.076 0.000 1.281 263 S CA -0.443 57.802 58.200 0.075 0.000 1.035 263 S CB 1.352 64.588 63.200 0.058 0.000 0.962 263 S HN 0.366 nan 8.310 nan 0.000 0.512 264 I N 2.635 123.262 120.570 0.095 0.000 2.410 264 I HA 0.383 4.553 4.170 -0.000 0.000 0.286 264 I C -1.058 175.139 176.117 0.133 0.000 1.009 264 I CA -0.648 60.709 61.300 0.095 0.000 1.111 264 I CB 1.605 39.708 38.000 0.173 0.000 1.262 264 I HN 0.251 nan 8.210 nan 0.000 0.443 265 V N 6.923 126.866 119.914 0.049 0.000 2.487 265 V HA 0.605 4.724 4.120 -0.000 0.000 0.298 265 V C -0.163 175.937 176.094 0.010 0.000 1.028 265 V CA -0.765 61.569 62.300 0.056 0.000 0.860 265 V CB 1.927 33.761 31.823 0.018 0.000 0.991 265 V HN 0.518 nan 8.190 nan 0.000 0.427 266 V N 1.909 121.857 119.914 0.057 0.000 2.914 266 V HA 1.088 5.208 4.120 -0.000 0.000 0.314 266 V C 0.490 176.608 176.094 0.040 0.000 1.084 266 V CA 0.269 62.568 62.300 -0.002 0.000 0.963 266 V CB 1.178 32.955 31.823 -0.075 0.000 1.025 266 V HN 1.793 nan 8.190 nan 0.000 0.432 267 G N 2.867 111.675 108.800 0.014 0.000 2.578 267 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.275 267 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.275 267 G C 0.762 175.670 174.900 0.014 0.000 1.271 267 G CA 0.326 45.438 45.100 0.021 0.000 0.941 267 G HN 2.371 nan 8.290 nan 0.000 0.564 268 G N -0.160 108.647 108.800 0.012 0.000 3.379 268 G HA2 0.463 4.423 3.960 -0.000 0.000 0.253 268 G HA3 0.463 4.423 3.960 -0.000 0.000 0.253 268 G C 0.430 175.329 174.900 -0.002 0.000 1.262 268 G CA 0.764 45.865 45.100 0.003 0.000 0.959 268 G HN 0.633 nan 8.290 nan 0.000 0.524 269 K N 0.163 120.572 120.400 0.015 0.000 2.324 269 K HA 0.358 4.678 4.320 -0.000 0.000 0.253 269 K C -1.103 175.516 176.600 0.032 0.000 0.932 269 K CA -1.058 55.234 56.287 0.008 0.000 0.799 269 K CB 2.658 35.169 32.500 0.019 0.000 1.154 269 K HN 0.017 nan 8.250 nan 0.000 0.425 270 L N 3.658 124.856 121.223 -0.041 0.000 2.600 270 L HA 0.032 4.371 4.340 -0.000 0.000 0.278 270 L C 0.391 177.272 176.870 0.019 0.000 1.139 270 L CA 0.390 55.202 54.840 -0.048 0.000 0.933 270 L CB -0.113 41.824 42.059 -0.204 0.000 1.266 270 L HN 0.793 nan 8.230 nan 0.000 0.471 271 W N 5.689 126.989 121.300 0.000 0.000 2.576 271 W HA 0.392 5.052 4.660 0.000 0.000 0.270 271 W C 0.819 177.465 176.519 0.212 0.000 1.255 271 W CA 0.812 58.202 57.345 0.074 0.000 1.314 271 W CB 0.356 29.826 29.460 0.018 0.000 1.101 271 W HN 0.629 nan 8.180 nan 0.000 0.595 272 G N 0.321 109.378 108.800 0.428 0.000 2.356 272 G HA2 0.435 4.395 3.960 -0.000 0.000 0.294 272 G HA3 0.435 4.395 3.960 -0.000 0.000 0.294 272 G C -2.156 172.856 174.900 0.186 0.000 1.423 272 G CA -0.427 44.818 45.100 0.243 0.000 0.806 272 G HN 0.565 nan 8.290 nan 0.000 0.527 273 L N -2.797 118.414 121.223 -0.019 0.000 2.671 273 L HA 0.920 5.260 4.340 -0.000 0.000 0.259 273 L C -1.780 174.893 176.870 -0.330 0.000 1.021 273 L CA -1.397 53.380 54.840 -0.105 0.000 0.871 273 L CB 1.265 43.336 42.059 0.020 0.000 1.472 273 L HN 0.466 nan 8.230 nan 0.000 0.410 274 F N 0.685 120.615 119.950 -0.035 0.000 2.404 274 F HA 0.696 5.223 4.527 -0.000 0.000 0.354 274 F C 0.764 176.459 175.800 -0.174 0.000 1.122 274 F CA -0.162 57.781 58.000 -0.096 0.000 1.080 274 F CB 1.917 40.871 39.000 -0.076 0.000 1.131 274 F HN 0.623 nan 8.300 nan 0.000 0.471 275 S N 3.377 119.022 115.700 -0.091 0.000 2.433 275 S HA 0.574 5.044 4.470 -0.000 0.000 0.310 275 S C -0.932 173.522 174.600 -0.244 0.000 1.097 275 S CA -0.514 57.576 58.200 -0.183 0.000 1.103 275 S CB 0.244 63.274 63.200 -0.282 0.000 0.992 275 S HN 0.699 nan 8.310 nan 0.000 0.469 276 C N 5.392 124.537 119.300 -0.258 0.000 2.303 276 C HA 0.653 5.113 4.460 -0.000 0.000 0.326 276 C C -0.411 174.590 174.990 0.019 0.000 1.285 276 C CA -0.834 57.927 59.018 -0.430 0.000 1.675 276 C CB -0.380 26.640 27.740 -1.199 0.000 2.289 276 C HN 0.840 nan 8.230 nan 0.000 0.512 277 H N 0.863 120.014 119.070 0.135 0.000 2.569 277 H HA 0.671 5.227 4.556 -0.000 0.000 0.357 277 H C -0.403 175.252 175.328 0.545 0.000 1.153 277 H CA -0.149 56.096 56.048 0.328 0.000 1.193 277 H CB 1.232 31.084 29.762 0.149 0.000 1.602 277 H HN 0.811 nan 8.280 nan 0.000 0.523 281 P HA 0.394 nan 4.420 nan 0.000 0.267 281 P C -0.899 176.412 177.300 0.019 0.000 1.201 281 P CA 0.104 63.232 63.100 0.047 0.000 0.775 281 P CB 0.249 31.967 31.700 0.030 0.000 0.854 282 K N 1.940 122.307 120.400 -0.055 0.000 2.575 282 K HA 0.538 4.858 4.320 -0.000 0.000 0.255 282 K C -2.160 174.337 176.600 -0.172 0.000 0.953 282 K CA -0.632 55.539 56.287 -0.192 0.000 0.840 282 K CB 1.025 33.241 32.500 -0.474 0.000 1.303 282 K HN 0.372 nan 8.250 nan 0.000 0.438 283 L N 5.667 126.786 121.223 -0.174 0.000 2.381 283 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 283 L C -1.611 175.209 176.870 -0.084 0.000 0.988 283 L CA -0.961 53.791 54.840 -0.148 0.000 0.824 283 L CB 1.206 43.142 42.059 -0.206 0.000 1.263 283 L HN 0.655 nan 8.230 nan 0.000 0.410 284 I N 6.854 127.422 120.570 -0.002 0.000 2.339 284 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 284 I C -2.022 174.127 176.117 0.053 0.000 0.994 284 I CA -2.174 59.157 61.300 0.051 0.000 1.191 284 I CB 1.216 39.319 38.000 0.171 0.000 1.343 284 I HN 0.459 nan 8.210 nan 0.000 0.458 285 P HA -0.090 nan 4.420 nan 0.000 0.265 285 P C 0.634 177.997 177.300 0.106 0.000 1.187 285 P CA 0.156 63.298 63.100 0.071 0.000 0.766 285 P CB 0.328 32.059 31.700 0.052 0.000 0.820 286 Y N 6.668 126.984 120.300 0.026 0.000 2.096 286 Y HA -0.267 4.283 4.550 -0.000 0.000 0.278 286 Y C -0.885 175.027 175.900 0.020 0.000 1.192 286 Y CA 2.550 60.666 58.100 0.026 0.000 1.143 286 Y CB -1.984 36.487 38.460 0.019 0.000 0.963 286 Y HN 0.436 nan 8.280 nan 0.000 0.505 287 P HA -0.184 nan 4.420 nan 0.000 0.216 287 P C 1.942 179.278 177.300 0.059 0.000 1.153 287 P CA 2.086 65.224 63.100 0.063 0.000 0.848 287 P CB -0.064 31.703 31.700 0.112 0.000 0.787 288 V N -0.507 119.397 119.914 -0.016 0.000 2.295 288 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 288 V C 1.646 177.546 176.094 -0.324 0.000 1.049 288 V CA 1.302 63.484 62.300 -0.197 0.000 1.024 288 V CB -0.880 30.843 31.823 -0.166 0.000 0.648 288 V HN 0.116 nan 8.190 nan 0.000 0.447 292 F N 3.217 123.167 119.950 -0.000 0.000 2.293 292 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 292 F C 2.818 178.696 175.800 0.131 0.000 1.086 292 F CA 1.187 59.248 58.000 0.103 0.000 1.375 292 F CB -0.829 38.206 39.000 0.058 0.000 1.045 292 F HN 0.495 nan 8.300 nan 0.000 0.516 293 Q N 1.182 121.107 119.800 0.209 0.000 2.061 293 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 293 Q C 2.257 178.317 176.000 0.101 0.000 0.984 293 Q CA 2.323 58.197 55.803 0.118 0.000 0.846 293 Q CB -0.467 28.294 28.738 0.037 0.000 0.902 293 Q HN 0.621 nan 8.270 nan 0.000 0.421 294 I N -0.850 119.786 120.570 0.110 0.000 2.761 294 I HA -0.071 4.099 4.170 -0.000 0.000 0.261 294 I C 1.969 178.154 176.117 0.113 0.000 1.198 294 I CA 0.666 62.019 61.300 0.089 0.000 1.482 294 I CB -0.273 37.782 38.000 0.091 0.000 1.100 294 I HN 0.300 nan 8.210 nan 0.000 0.445 295 F N 2.004 121.973 119.950 0.033 0.000 2.134 295 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 295 F C 2.642 178.468 175.800 0.044 0.000 1.097 295 F CA 1.788 59.809 58.000 0.035 0.000 1.264 295 F CB -0.891 38.152 39.000 0.070 0.000 1.001 295 F HN 0.174 nan 8.300 nan 0.000 0.479 296 S N -0.194 115.355 115.700 -0.253 0.000 2.387 296 S HA -0.348 4.122 4.470 -0.000 0.000 0.230 296 S C 2.191 176.663 174.600 -0.214 0.000 1.035 296 S CA 1.831 59.849 58.200 -0.304 0.000 1.014 296 S CB -0.715 62.447 63.200 -0.062 0.000 0.836 296 S HN 0.775 nan 8.310 nan 0.000 0.466 297 Q N -0.046 119.686 119.800 -0.113 0.000 2.016 297 Q HA -0.084 4.255 4.340 -0.000 0.000 0.200 297 Q C 2.080 178.021 176.000 -0.100 0.000 0.978 297 Q CA 2.028 57.786 55.803 -0.075 0.000 0.833 297 Q CB -0.183 28.540 28.738 -0.025 0.000 0.895 297 Q HN 0.534 nan 8.270 nan 0.000 0.427 298 V N 0.600 120.455 119.914 -0.098 0.000 2.237 298 V HA -0.317 3.803 4.120 -0.000 0.000 0.245 298 V C 2.591 178.614 176.094 -0.119 0.000 1.046 298 V CA 1.669 63.929 62.300 -0.067 0.000 1.007 298 V CB -1.127 30.707 31.823 0.017 0.000 0.638 298 V HN 0.686 nan 8.190 nan 0.000 0.445 299 C N 0.128 119.272 119.300 -0.259 0.000 2.391 299 C HA -0.220 4.240 4.460 -0.000 0.000 0.276 299 C C 3.212 178.086 174.990 -0.193 0.000 1.217 299 C CA 1.924 60.790 59.018 -0.254 0.000 1.766 299 C CB -1.184 26.208 27.740 -0.580 0.000 2.046 299 C HN 0.634 nan 8.230 nan 0.000 0.475 300 S N 0.218 115.799 115.700 -0.199 0.000 2.370 300 S HA -0.128 4.342 4.470 -0.000 0.000 0.226 300 S C 2.162 176.668 174.600 -0.156 0.000 1.033 300 S CA 1.606 59.712 58.200 -0.158 0.000 1.011 300 S CB -0.533 62.601 63.200 -0.111 0.000 0.852 300 S HN 0.858 nan 8.310 nan 0.000 0.457 301 A N 1.273 124.021 122.820 -0.120 0.000 1.855 301 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 301 A C 1.977 179.495 177.584 -0.110 0.000 1.191 301 A CA 1.222 53.199 52.037 -0.099 0.000 0.613 301 A CB -0.759 18.201 19.000 -0.066 0.000 0.829 301 A HN 0.365 nan 8.150 nan 0.000 0.442 302 I N 0.110 120.622 120.570 -0.097 0.000 2.074 302 I HA -0.266 3.903 4.170 -0.000 0.000 0.238 302 I C 2.487 178.523 176.117 -0.135 0.000 1.037 302 I CA 1.539 62.788 61.300 -0.084 0.000 1.301 302 I CB -0.882 37.091 38.000 -0.044 0.000 1.016 302 I HN 0.141 nan 8.210 nan 0.000 0.400 303 V N 0.150 119.938 119.914 -0.210 0.000 2.568 303 V HA -0.301 3.818 4.120 -0.000 0.000 0.253 303 V C 2.454 178.317 176.094 -0.385 0.000 1.072 303 V CA 1.998 64.080 62.300 -0.363 0.000 1.084 303 V CB -0.849 30.593 31.823 -0.634 0.000 0.676 303 V HN 0.535 nan 8.190 nan 0.000 0.469 304 E N 0.130 120.155 120.200 -0.292 0.000 2.072 304 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 304 E C 2.462 178.972 176.600 -0.150 0.000 0.985 304 E CA 1.201 57.465 56.400 -0.227 0.000 0.801 304 E CB -0.015 29.591 29.700 -0.156 0.000 0.750 304 E HN 0.523 nan 8.360 nan 0.000 0.452 305 R N -0.283 120.146 120.500 -0.118 0.000 2.062 305 R HA -0.057 4.283 4.340 -0.000 0.000 0.226 305 R C 2.420 178.676 176.300 -0.072 0.000 1.125 305 R CA 0.682 56.736 56.100 -0.077 0.000 0.966 305 R CB -0.302 29.964 30.300 -0.058 0.000 0.861 305 R HN 0.181 nan 8.270 nan 0.000 0.433 306 L N 1.647 122.817 121.223 -0.088 0.000 2.013 306 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 306 L C 2.100 178.931 176.870 -0.065 0.000 1.073 306 L CA 1.869 56.668 54.840 -0.069 0.000 0.753 306 L CB -0.436 41.572 42.059 -0.084 0.000 0.890 306 L HN 0.136 nan 8.230 nan 0.000 0.432 307 E N -0.758 119.376 120.200 -0.109 0.000 2.158 307 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 307 E C 2.053 178.637 176.600 -0.027 0.000 0.982 307 E CA 1.048 57.410 56.400 -0.064 0.000 0.823 307 E CB -0.074 29.550 29.700 -0.126 0.000 0.766 307 E HN 0.767 nan 8.360 nan 0.000 0.468 308 Q N -0.259 119.515 119.800 -0.044 0.000 2.297 308 Q HA -0.009 4.331 4.340 -0.000 0.000 0.204 308 Q C 1.906 177.899 176.000 -0.013 0.000 0.962 308 Q CA 1.368 57.157 55.803 -0.022 0.000 0.879 308 Q CB -0.211 28.510 28.738 -0.029 0.000 0.947 308 Q HN 0.098 nan 8.270 nan 0.000 0.462 309 G N 1.554 110.345 108.800 -0.016 0.000 2.394 309 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.214 309 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.214 309 G C 1.479 176.379 174.900 0.000 0.000 1.176 309 G CA 0.549 45.644 45.100 -0.008 0.000 0.786 309 G HN 0.336 nan 8.290 nan 0.000 0.533 310 R N 0.458 120.961 120.500 0.005 0.000 2.154 310 R HA -0.164 4.176 4.340 -0.000 0.000 0.236 310 R C 2.608 178.918 176.300 0.017 0.000 1.121 310 R CA 2.233 58.343 56.100 0.016 0.000 0.915 310 R CB -0.507 29.810 30.300 0.028 0.000 0.856 310 R HN 0.410 nan 8.270 nan 0.000 0.431 311 I N -0.274 120.309 120.570 0.021 0.000 2.286 311 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 311 I C 2.038 178.161 176.117 0.010 0.000 1.115 311 I CA 2.152 63.464 61.300 0.020 0.000 1.392 311 I CB -1.330 36.686 38.000 0.027 0.000 1.065 311 I HN 0.309 nan 8.210 nan 0.000 0.418 312 A N 1.007 123.830 122.820 0.006 0.000 1.940 312 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 312 A C 2.179 179.764 177.584 0.002 0.000 1.176 312 A CA 2.127 54.165 52.037 0.001 0.000 0.631 312 A CB -0.711 18.288 19.000 -0.002 0.000 0.814 312 A HN 0.642 nan 8.150 nan 0.000 0.446 313 E N 0.478 120.681 120.200 0.004 0.000 2.006 313 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 313 E C 1.913 178.516 176.600 0.005 0.000 0.993 313 E CA 1.440 57.843 56.400 0.005 0.000 0.808 313 E CB -0.475 29.229 29.700 0.007 0.000 0.764 313 E HN 0.530 nan 8.360 nan 0.000 0.449 314 L N 0.386 121.614 121.223 0.008 0.000 2.129 314 L HA -0.175 4.164 4.340 -0.000 0.000 0.212 314 L C 2.559 179.431 176.870 0.003 0.000 1.087 314 L CA 0.929 55.774 54.840 0.008 0.000 0.757 314 L CB -0.811 41.254 42.059 0.011 0.000 0.896 314 L HN 0.241 nan 8.230 nan 0.000 0.434 315 L N -0.046 121.177 121.223 0.001 0.000 2.291 315 L HA -0.114 4.226 4.340 -0.000 0.000 0.214 315 L C 2.678 179.545 176.870 -0.005 0.000 1.120 315 L CA 1.452 56.289 54.840 -0.005 0.000 0.799 315 L CB -0.560 41.496 42.059 -0.005 0.000 0.925 315 L HN 0.131 nan 8.230 nan 0.000 0.446 316 R N -1.042 119.457 120.500 -0.002 0.000 2.075 316 R HA -0.051 4.289 4.340 -0.000 0.000 0.220 316 R C 2.310 178.610 176.300 0.000 0.000 1.118 316 R CA 1.293 57.392 56.100 -0.002 0.000 0.986 316 R CB -0.281 30.019 30.300 -0.001 0.000 0.884 316 R HN 0.364 nan 8.270 nan 0.000 0.439 317 V N 0.117 120.033 119.914 0.003 0.000 2.392 317 V HA -0.210 3.910 4.120 -0.000 0.000 0.249 317 V C 2.165 178.263 176.094 0.007 0.000 1.059 317 V CA 2.539 64.843 62.300 0.006 0.000 1.051 317 V CB -0.564 31.264 31.823 0.009 0.000 0.658 317 V HN 0.465 nan 8.190 nan 0.000 0.455 318 S N 1.669 117.371 115.700 0.004 0.000 2.343 318 S HA -0.242 4.228 4.470 -0.000 0.000 0.219 318 S C 2.210 176.810 174.600 0.001 0.000 1.033 318 S CA 2.852 61.053 58.200 0.003 0.000 1.014 318 S CB -1.231 61.965 63.200 -0.007 0.000 0.915 318 S HN 0.927 nan 8.310 nan 0.000 0.435 319 T N 0.280 114.831 114.554 -0.005 0.000 2.833 319 T HA 0.005 4.355 4.350 -0.000 0.000 0.269 319 T C 1.735 176.434 174.700 -0.002 0.000 1.054 319 T CA 1.186 63.282 62.100 -0.006 0.000 1.135 319 T CB -0.544 68.318 68.868 -0.009 0.000 0.869 319 T HN 0.332 nan 8.240 nan 0.000 0.466 320 E N 1.654 121.854 120.200 -0.001 0.000 2.058 320 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 320 E C 2.500 179.101 176.600 0.003 0.000 0.997 320 E CA 1.011 57.411 56.400 -0.000 0.000 0.801 320 E CB -0.300 29.400 29.700 0.001 0.000 0.746 320 E HN 0.573 nan 8.360 nan 0.000 0.450 321 R N 0.395 120.900 120.500 0.008 0.000 2.103 321 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 321 R C 2.580 178.888 176.300 0.013 0.000 1.132 321 R CA 1.443 57.552 56.100 0.014 0.000 0.925 321 R CB -0.441 29.874 30.300 0.025 0.000 0.842 321 R HN 0.111 nan 8.270 nan 0.000 0.430 322 R N 0.713 121.223 120.500 0.016 0.000 2.143 322 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 322 R C 2.417 178.717 176.300 0.000 0.000 1.126 322 R CA 2.021 58.129 56.100 0.013 0.000 0.927 322 R CB -0.663 29.643 30.300 0.010 0.000 0.860 322 R HN 0.258 nan 8.270 nan 0.000 0.433 323 L N -0.309 120.911 121.223 -0.004 0.000 2.191 323 L HA -0.165 4.174 4.340 -0.000 0.000 0.212 323 L C 2.662 179.526 176.870 -0.010 0.000 1.103 323 L CA 1.084 55.919 54.840 -0.009 0.000 0.769 323 L CB -0.686 41.367 42.059 -0.009 0.000 0.908 323 L HN 0.321 nan 8.230 nan 0.000 0.438 324 A N 0.589 123.405 122.820 -0.007 0.000 1.845 324 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 324 A C 2.283 179.860 177.584 -0.013 0.000 1.195 324 A CA 1.475 53.507 52.037 -0.009 0.000 0.616 324 A CB -0.856 18.141 19.000 -0.005 0.000 0.832 324 A HN 0.335 nan 8.150 nan 0.000 0.443 325 L N -0.355 120.862 121.223 -0.010 0.000 2.129 325 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 325 L C 2.552 179.405 176.870 -0.028 0.000 1.087 325 L CA 2.545 57.375 54.840 -0.017 0.000 0.757 325 L CB -1.189 40.863 42.059 -0.011 0.000 0.896 325 L HN 0.428 nan 8.230 nan 0.000 0.434 326 A N 0.046 122.850 122.820 -0.027 0.000 1.897 326 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 326 A C 2.283 179.848 177.584 -0.031 0.000 1.181 326 A CA 1.202 53.218 52.037 -0.035 0.000 0.620 326 A CB -0.435 18.547 19.000 -0.031 0.000 0.821 326 A HN 0.468 nan 8.150 nan 0.000 0.443 327 R N -0.711 119.775 120.500 -0.024 0.000 2.148 327 R HA -0.018 4.322 4.340 -0.000 0.000 0.227 327 R C 2.238 178.525 176.300 -0.022 0.000 1.103 327 R CA 1.204 57.291 56.100 -0.021 0.000 0.983 327 R CB -0.200 30.090 30.300 -0.017 0.000 0.874 327 R HN 0.457 nan 8.270 nan 0.000 0.451 328 R N -0.132 120.354 120.500 -0.023 0.000 2.189 328 R HA 0.012 4.352 4.340 -0.000 0.000 0.218 328 R C 1.928 178.213 176.300 -0.024 0.000 1.074 328 R CA 1.181 57.267 56.100 -0.023 0.000 0.991 328 R CB 0.055 30.341 30.300 -0.023 0.000 0.883 328 R HN 0.172 nan 8.270 nan 0.000 0.457 329 A N 0.644 123.445 122.820 -0.032 0.000 1.963 329 A HA 0.001 4.321 4.320 -0.000 0.000 0.207 329 A C 1.961 179.524 177.584 -0.034 0.000 1.243 329 A CA 0.172 52.186 52.037 -0.037 0.000 0.728 329 A CB -0.203 18.762 19.000 -0.059 0.000 0.895 329 A HN 0.168 nan 8.150 nan 0.000 0.467 330 R N 0.002 120.480 120.500 -0.036 0.000 2.170 330 R HA -0.175 4.165 4.340 -0.000 0.000 0.242 330 R C -0.109 176.178 176.300 -0.021 0.000 1.145 330 R CA 1.980 58.062 56.100 -0.030 0.000 0.984 330 R CB -0.174 30.109 30.300 -0.029 0.000 0.869 330 R HN 0.328 nan 8.270 nan 0.000 0.455 331 D N -0.712 119.677 120.400 -0.019 0.000 2.431 331 D HA 0.248 4.888 4.640 -0.000 0.000 0.213 331 D C -0.341 175.952 176.300 -0.011 0.000 1.130 331 D CA 0.306 54.298 54.000 -0.014 0.000 0.834 331 D CB 1.251 42.042 40.800 -0.014 0.000 0.985 331 D HN 0.335 nan 8.370 nan 0.000 0.504 332 A N -0.116 122.698 122.820 -0.011 0.000 2.387 332 A HA 0.498 4.817 4.320 -0.000 0.000 0.298 332 A C 0.363 177.947 177.584 -0.001 0.000 1.165 332 A CA -0.445 51.589 52.037 -0.005 0.000 0.814 332 A CB 2.040 21.037 19.000 -0.005 0.000 1.357 332 A HN -0.168 nan 8.150 nan 0.000 0.443 333 D N -0.876 119.528 120.400 0.007 0.000 2.652 333 D HA 0.092 4.732 4.640 -0.000 0.000 0.261 333 D C -0.696 175.617 176.300 0.023 0.000 1.024 333 D CA 0.695 54.702 54.000 0.012 0.000 0.958 333 D CB 0.310 41.118 40.800 0.013 0.000 1.113 333 D HN 0.424 nan 8.370 nan 0.000 0.471 334 D N 0.710 121.131 120.400 0.034 0.000 2.373 334 D HA 0.204 4.844 4.640 -0.000 0.000 0.227 334 D C 1.214 177.555 176.300 0.070 0.000 1.091 334 D CA -0.170 53.863 54.000 0.056 0.000 0.840 334 D CB 1.277 42.116 40.800 0.065 0.000 1.060 334 D HN 0.076 nan 8.370 nan 0.000 0.502 335 L N 2.726 123.991 121.223 0.071 0.000 2.270 335 L HA -0.012 4.328 4.340 -0.000 0.000 0.210 335 L C 2.057 178.967 176.870 0.068 0.000 1.104 335 L CA 0.267 55.133 54.840 0.042 0.000 0.804 335 L CB -0.259 41.805 42.059 0.008 0.000 0.937 335 L HN 0.389 nan 8.230 nan 0.000 0.450 336 F N 1.485 121.440 119.950 0.007 0.000 2.202 336 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 336 F C 2.070 177.876 175.800 0.010 0.000 1.082 336 F CA 1.622 59.632 58.000 0.017 0.000 1.313 336 F CB -0.116 38.901 39.000 0.027 0.000 1.024 336 F HN -0.026 nan 8.300 nan 0.000 0.495 337 G N -1.115 107.755 108.800 0.117 0.000 2.595 337 G HA2 0.082 4.042 3.960 -0.000 0.000 0.213 337 G HA3 0.082 4.042 3.960 -0.000 0.000 0.213 337 G C 1.670 176.573 174.900 0.005 0.000 1.141 337 G CA 0.444 45.573 45.100 0.048 0.000 0.806 337 G HN 0.524 nan 8.290 nan 0.000 0.530 338 A N 0.871 123.694 122.820 0.004 0.000 1.898 338 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 338 A C 2.210 179.771 177.584 -0.039 0.000 1.183 338 A CA 0.584 52.620 52.037 -0.003 0.000 0.622 338 A CB -0.393 18.604 19.000 -0.005 0.000 0.824 338 A HN 0.281 nan 8.150 nan 0.000 0.444 339 L N -1.082 120.088 121.223 -0.088 0.000 2.447 339 L HA -0.118 4.222 4.340 -0.000 0.000 0.225 339 L C 1.818 178.601 176.870 -0.145 0.000 1.148 339 L CA 0.841 55.604 54.840 -0.127 0.000 0.808 339 L CB -0.184 41.769 42.059 -0.177 0.000 0.928 339 L HN 0.466 nan 8.230 nan 0.000 0.448 340 A N -2.933 119.801 122.820 -0.142 0.000 2.592 340 A HA 0.128 4.448 4.320 -0.000 0.000 0.290 340 A C 0.107 177.636 177.584 -0.091 0.000 0.998 340 A CA -0.454 51.477 52.037 -0.177 0.000 0.983 340 A CB -0.193 18.580 19.000 -0.379 0.000 1.240 340 A HN 0.174 nan 8.150 nan 0.000 0.535 341 H N 1.425 120.453 119.070 -0.071 0.000 2.848 341 H HA 0.119 4.675 4.556 -0.000 0.000 0.317 341 H C -1.907 173.396 175.328 -0.042 0.000 1.046 341 H CA -0.913 55.110 56.048 -0.041 0.000 1.470 341 H CB 1.306 31.053 29.762 -0.024 0.000 1.483 341 H HN 0.058 nan 8.280 nan 0.000 0.548 342 P HA -0.107 nan 4.420 nan 0.000 0.231 342 P C 0.157 177.480 177.300 0.038 0.000 1.154 342 P CA 1.104 64.186 63.100 -0.030 0.000 0.762 342 P CB 0.363 32.029 31.700 -0.058 0.000 0.790 343 D N -2.136 118.325 120.400 0.101 0.000 2.531 343 D HA 0.006 4.646 4.640 -0.000 0.000 0.263 343 D C 0.494 176.833 176.300 0.065 0.000 1.057 343 D CA 0.266 54.321 54.000 0.092 0.000 0.909 343 D CB -0.350 40.528 40.800 0.130 0.000 1.236 343 D HN 0.067 nan 8.370 nan 0.000 0.494 344 D N 1.490 121.934 120.400 0.074 0.000 2.400 344 D HA 0.180 4.820 4.640 -0.000 0.000 0.243 344 D C 0.799 177.107 176.300 0.014 0.000 1.184 344 D CA 0.122 54.144 54.000 0.036 0.000 0.853 344 D CB -0.136 40.683 40.800 0.032 0.000 0.944 344 D HN 0.065 nan 8.370 nan 0.000 0.501 345 G N -0.207 108.601 108.800 0.014 0.000 2.507 345 G HA2 0.244 4.204 3.960 -0.000 0.000 0.271 345 G HA3 0.244 4.204 3.960 -0.000 0.000 0.271 345 G C 1.192 176.081 174.900 -0.017 0.000 1.189 345 G CA -0.590 44.495 45.100 -0.025 0.000 0.859 345 G HN 0.044 nan 8.290 nan 0.000 0.542 346 I N 1.620 122.135 120.570 -0.091 0.000 2.163 346 I HA -0.224 3.945 4.170 -0.000 0.000 0.243 346 I C 3.073 179.222 176.117 0.053 0.000 1.085 346 I CA 2.088 63.310 61.300 -0.131 0.000 1.347 346 I CB -0.121 37.578 38.000 -0.501 0.000 1.044 346 I HN 0.539 nan 8.210 nan 0.000 0.408 347 A N 0.089 122.917 122.820 0.012 0.000 2.084 347 A HA -0.150 4.170 4.320 -0.000 0.000 0.221 347 A C 2.233 179.923 177.584 0.176 0.000 1.161 347 A CA 1.720 53.840 52.037 0.139 0.000 0.653 347 A CB -0.952 18.093 19.000 0.076 0.000 0.802 347 A HN 0.442 nan 8.150 nan 0.000 0.457 348 A N -1.285 121.613 122.820 0.128 0.000 2.276 348 A HA 0.478 4.798 4.320 -0.000 0.000 0.212 348 A C 1.551 179.213 177.584 0.130 0.000 1.230 348 A CA 0.483 52.586 52.037 0.110 0.000 0.844 348 A CB -0.307 18.736 19.000 0.072 0.000 0.860 348 A HN 0.470 nan 8.150 nan 0.000 0.486 349 L N -1.494 119.859 121.223 0.217 0.000 2.653 349 L HA 0.435 4.775 4.340 -0.000 0.000 0.230 349 L C 0.185 177.120 176.870 0.109 0.000 1.055 349 L CA 0.277 55.229 54.840 0.187 0.000 0.880 349 L CB 0.231 42.441 42.059 0.251 0.000 1.195 349 L HN 0.168 nan 8.230 nan 0.000 0.492 350 I N 0.321 120.986 120.570 0.159 0.000 2.689 350 I HA 0.332 4.502 4.170 -0.000 0.000 0.299 350 I C -2.401 173.790 176.117 0.124 0.000 1.059 350 I CA -1.990 59.295 61.300 -0.026 0.000 1.055 350 I CB 2.391 40.099 38.000 -0.486 0.000 1.243 350 I HN -0.281 nan 8.210 nan 0.000 0.425 351 P HA 0.080 nan 4.420 nan 0.000 0.268 351 P C -0.739 176.650 177.300 0.149 0.000 1.282 351 P CA -0.153 63.005 63.100 0.097 0.000 0.880 351 P CB -0.053 31.674 31.700 0.044 0.000 0.971 352 C N 1.333 120.738 119.300 0.174 0.000 3.308 352 C HA 0.542 5.002 4.460 -0.000 0.000 0.360 352 C C 0.754 175.807 174.990 0.106 0.000 1.695 352 C CA -0.497 58.640 59.018 0.198 0.000 1.366 352 C CB 1.706 29.645 27.740 0.331 0.000 2.121 352 C HN 0.344 nan 8.230 nan 0.000 0.442 353 D N -0.113 120.332 120.400 0.075 0.000 2.455 353 D HA 0.349 4.989 4.640 -0.000 0.000 0.228 353 D C 0.641 177.014 176.300 0.121 0.000 1.070 353 D CA 1.112 55.122 54.000 0.017 0.000 0.881 353 D CB 1.150 41.759 40.800 -0.318 0.000 1.087 353 D HN 1.014 nan 8.370 nan 0.000 0.498 354 G N -0.003 108.916 108.800 0.199 0.000 2.720 354 G HA2 0.617 4.577 3.960 -0.000 0.000 0.295 354 G HA3 0.617 4.577 3.960 -0.000 0.000 0.295 354 G C -1.564 173.484 174.900 0.248 0.000 1.437 354 G CA -0.080 45.163 45.100 0.238 0.000 0.886 354 G HN 0.201 nan 8.290 nan 0.000 0.509 355 A N 0.323 123.214 122.820 0.118 0.000 2.524 355 A HA 0.947 5.267 4.320 -0.000 0.000 0.289 355 A C -1.853 175.686 177.584 -0.075 0.000 1.248 355 A CA -0.804 51.174 52.037 -0.098 0.000 0.712 355 A CB 2.110 21.004 19.000 -0.176 0.000 1.312 355 A HN 1.633 nan 8.150 nan 0.000 0.441 356 L N 0.482 121.591 121.223 -0.190 0.000 2.611 356 L HA 0.593 4.933 4.340 -0.000 0.000 0.260 356 L C -1.497 175.354 176.870 -0.033 0.000 0.924 356 L CA -0.174 54.638 54.840 -0.047 0.000 0.901 356 L CB 1.300 43.386 42.059 0.046 0.000 1.369 356 L HN 0.654 nan 8.230 nan 0.000 0.415 360 G N 3.833 112.680 108.800 0.079 0.000 2.536 360 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.277 360 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.277 360 G C 0.548 175.464 174.900 0.026 0.000 1.155 360 G CA 0.127 45.251 45.100 0.040 0.000 0.960 360 G HN 2.012 nan 8.290 nan 0.000 0.544 361 G N -0.037 108.760 108.800 -0.006 0.000 3.863 361 G HA2 0.528 4.487 3.960 -0.000 0.000 0.290 361 G HA3 0.528 4.487 3.960 -0.000 0.000 0.290 361 G C 0.314 175.189 174.900 -0.040 0.000 1.018 361 G CA 0.899 45.990 45.100 -0.015 0.000 0.824 361 G HN 0.605 nan 8.290 nan 0.000 0.507 362 R N 0.305 120.773 120.500 -0.054 0.000 2.437 362 R HA 0.635 4.975 4.340 -0.000 0.000 0.310 362 R C -1.108 175.203 176.300 0.017 0.000 0.955 362 R CA -0.196 55.826 56.100 -0.130 0.000 0.851 362 R CB 1.576 31.637 30.300 -0.398 0.000 1.161 362 R HN 0.062 nan 8.270 nan 0.000 0.446 363 T N 3.648 118.235 114.554 0.055 0.000 2.916 363 T HA 0.573 4.923 4.350 -0.000 0.000 0.292 363 T C -1.591 173.253 174.700 0.240 0.000 1.055 363 T CA -0.641 61.557 62.100 0.164 0.000 1.009 363 T CB 0.971 69.883 68.868 0.073 0.000 1.118 363 T HN 0.480 nan 8.240 nan 0.000 0.497 364 L N 2.913 124.284 121.223 0.247 0.000 2.528 364 L HA 0.448 4.788 4.340 -0.000 0.000 0.267 364 L C -0.416 176.505 176.870 0.086 0.000 0.961 364 L CA -0.627 54.324 54.840 0.184 0.000 0.866 364 L CB 1.934 44.143 42.059 0.251 0.000 1.248 364 L HN 0.768 nan 8.230 nan 0.000 0.404 365 S N 5.031 120.769 115.700 0.064 0.000 2.494 365 S HA 0.319 4.789 4.470 -0.000 0.000 0.312 365 S C -0.159 174.468 174.600 0.046 0.000 1.121 365 S CA -0.575 57.657 58.200 0.053 0.000 1.068 365 S CB 0.194 63.417 63.200 0.038 0.000 1.141 365 S HN 0.557 nan 8.310 nan 0.000 0.527 366 I N 2.607 123.200 120.570 0.038 0.000 2.474 366 I HA 0.461 4.631 4.170 -0.000 0.000 0.287 366 I C 0.316 176.468 176.117 0.059 0.000 1.048 366 I CA -0.232 61.084 61.300 0.027 0.000 1.383 366 I CB 0.474 38.468 38.000 -0.011 0.000 1.412 366 I HN 0.793 nan 8.210 nan 0.000 0.531 372 R N 1.091 121.547 120.500 -0.073 0.000 2.062 372 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 372 R C 2.182 178.414 176.300 -0.113 0.000 1.136 372 R CA 2.078 58.130 56.100 -0.079 0.000 0.948 372 R CB -0.049 30.212 30.300 -0.065 0.000 0.845 372 R HN 0.199 nan 8.270 nan 0.000 0.430 373 Q N -0.478 119.236 119.800 -0.143 0.000 2.308 373 Q HA -0.171 4.169 4.340 -0.000 0.000 0.209 373 Q C 1.880 177.727 176.000 -0.255 0.000 0.985 373 Q CA 1.303 56.987 55.803 -0.199 0.000 0.881 373 Q CB -0.028 28.554 28.738 -0.260 0.000 0.917 373 Q HN 0.478 nan 8.270 nan 0.000 0.443 374 A N 0.283 122.958 122.820 -0.242 0.000 1.969 374 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 374 A C 2.180 179.622 177.584 -0.236 0.000 1.169 374 A CA 1.450 53.306 52.037 -0.301 0.000 0.635 374 A CB -0.649 18.228 19.000 -0.205 0.000 0.810 374 A HN 0.463 nan 8.150 nan 0.000 0.445 375 G N -0.862 107.843 108.800 -0.158 0.000 2.572 375 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 375 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 375 G C 1.258 176.086 174.900 -0.119 0.000 1.133 375 G CA 0.829 45.858 45.100 -0.119 0.000 0.791 375 G HN 0.489 nan 8.290 nan 0.000 0.538 376 N N -0.226 118.392 118.700 -0.136 0.000 2.432 376 N HA 0.007 4.747 4.740 -0.000 0.000 0.174 376 N C 2.265 177.704 175.510 -0.119 0.000 1.037 376 N CA 0.367 53.357 53.050 -0.100 0.000 0.892 376 N CB 0.198 38.643 38.487 -0.070 0.000 1.049 376 N HN 0.129 nan 8.380 nan 0.000 0.442 377 V N 1.085 120.868 119.914 -0.218 0.000 2.453 377 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 377 V C 2.125 178.042 176.094 -0.296 0.000 1.048 377 V CA 0.801 62.939 62.300 -0.269 0.000 1.049 377 V CB -0.309 31.248 31.823 -0.444 0.000 0.672 377 V HN 0.160 nan 8.190 nan 0.000 0.457 378 L N 0.165 121.197 121.223 -0.318 0.000 2.376 378 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 378 L C 2.216 178.974 176.870 -0.187 0.000 1.133 378 L CA 1.747 56.393 54.840 -0.323 0.000 0.816 378 L CB -0.579 41.314 42.059 -0.277 0.000 0.933 378 L HN 0.405 nan 8.230 nan 0.000 0.449 379 Q N -1.155 118.562 119.800 -0.140 0.000 2.425 379 Q HA -0.094 4.246 4.340 -0.000 0.000 0.204 379 Q C 1.962 177.925 176.000 -0.062 0.000 0.933 379 Q CA 0.316 56.071 55.803 -0.081 0.000 0.939 379 Q CB 0.226 28.928 28.738 -0.060 0.000 1.044 379 Q HN 0.457 nan 8.270 nan 0.000 0.513 380 R N -0.649 119.803 120.500 -0.080 0.000 2.307 380 R HA 0.230 4.569 4.340 -0.000 0.000 0.200 380 R C 0.771 177.012 176.300 -0.098 0.000 0.893 380 R CA 0.064 56.134 56.100 -0.050 0.000 1.042 380 R CB 0.499 30.824 30.300 0.041 0.000 1.059 380 R HN 0.224 nan 8.270 nan 0.000 0.530 381 L N 1.445 122.573 121.223 -0.159 0.000 2.851 381 L HA 0.181 4.521 4.340 -0.000 0.000 0.237 381 L C 0.990 177.834 176.870 -0.042 0.000 1.257 381 L CA -0.176 54.590 54.840 -0.124 0.000 1.061 381 L CB 0.491 42.422 42.059 -0.213 0.000 1.372 381 L HN 0.198 nan 8.230 nan 0.000 0.493 382 Q N 0.008 119.787 119.800 -0.035 0.000 2.212 382 Q HA 0.019 4.359 4.340 -0.000 0.000 0.199 382 Q C 1.672 177.678 176.000 0.011 0.000 0.950 382 Q CA 0.857 56.655 55.803 -0.007 0.000 0.863 382 Q CB 0.230 28.959 28.738 -0.016 0.000 0.944 382 Q HN 0.487 nan 8.270 nan 0.000 0.465 383 R N 0.557 121.063 120.500 0.009 0.000 2.310 383 R HA 0.036 4.376 4.340 -0.000 0.000 0.202 383 R C -0.034 176.288 176.300 0.037 0.000 0.933 383 R CA 0.218 56.330 56.100 0.020 0.000 1.054 383 R CB 0.457 30.765 30.300 0.014 0.000 0.985 383 R HN -0.018 nan 8.270 nan 0.000 0.489 384 D N -0.049 120.380 120.400 0.048 0.000 2.656 384 D HA 0.168 4.808 4.640 -0.000 0.000 0.303 384 D C -2.144 174.212 176.300 0.093 0.000 1.199 384 D CA -1.920 52.124 54.000 0.075 0.000 0.797 384 D CB 1.366 42.226 40.800 0.100 0.000 1.170 384 D HN -0.112 nan 8.370 nan 0.000 0.509 385 P HA 0.032 nan 4.420 nan 0.000 0.234 385 P C 0.356 177.723 177.300 0.112 0.000 1.167 385 P CA 0.698 63.855 63.100 0.096 0.000 0.763 385 P CB 0.452 32.191 31.700 0.066 0.000 0.835 386 E N -1.249 119.012 120.200 0.102 0.000 2.693 386 E HA 0.130 4.480 4.350 -0.000 0.000 0.214 386 E C 0.136 176.797 176.600 0.101 0.000 0.990 386 E CA -0.360 56.091 56.400 0.085 0.000 1.047 386 E CB 0.355 30.090 29.700 0.057 0.000 1.039 386 E HN -0.015 nan 8.360 nan 0.000 0.475 387 R N 1.045 121.641 120.500 0.159 0.000 2.347 387 R HA 0.075 4.415 4.340 -0.000 0.000 0.304 387 R C -0.176 176.247 176.300 0.206 0.000 1.072 387 R CA 0.172 56.388 56.100 0.195 0.000 0.980 387 R CB 0.810 31.262 30.300 0.254 0.000 0.986 387 R HN 0.109 nan 8.270 nan 0.000 0.448 388 D N 1.632 122.089 120.400 0.095 0.000 2.367 388 D HA 0.231 4.871 4.640 -0.000 0.000 0.207 388 D C 0.269 176.589 176.300 0.033 0.000 1.034 388 D CA 0.558 54.530 54.000 -0.046 0.000 0.861 388 D CB 0.515 41.269 40.800 -0.076 0.000 0.943 388 D HN 0.395 nan 8.370 nan 0.000 0.515 389 I N -0.923 119.748 120.570 0.168 0.000 2.969 389 I HA 0.425 4.595 4.170 -0.000 0.000 0.307 389 I C -1.411 174.909 176.117 0.339 0.000 1.149 389 I CA -1.281 60.143 61.300 0.206 0.000 1.008 389 I CB 2.578 40.652 38.000 0.123 0.000 1.232 389 I HN -0.277 nan 8.210 nan 0.000 0.435 390 Y N 3.833 124.224 120.300 0.152 0.000 2.558 390 Y HA 0.492 5.042 4.550 -0.000 0.000 0.333 390 Y C -1.497 174.457 175.900 0.090 0.000 1.125 390 Y CA -0.575 57.593 58.100 0.113 0.000 1.039 390 Y CB 1.625 40.135 38.460 0.084 0.000 1.331 390 Y HN 0.613 nan 8.280 nan 0.000 0.456 391 H N 2.621 121.273 119.070 -0.696 0.000 3.026 391 H HA 0.676 5.232 4.556 -0.000 0.000 0.352 391 H C -1.786 173.271 175.328 -0.451 0.000 1.090 391 H CA -0.614 55.141 56.048 -0.489 0.000 1.268 391 H CB 1.926 31.501 29.762 -0.311 0.000 1.816 391 H HN 0.776 nan 8.280 nan 0.000 0.518 392 T N 1.989 116.498 114.554 -0.075 0.000 2.700 392 T HA 0.442 4.792 4.350 -0.000 0.000 0.307 392 T C -2.028 172.939 174.700 0.445 0.000 1.580 392 T CA -0.363 61.818 62.100 0.135 0.000 0.992 392 T CB 1.905 70.852 68.868 0.131 0.000 1.577 392 T HN 0.954 nan 8.240 nan 0.000 0.496 393 D N 0.434 121.035 120.400 0.336 0.000 2.622 393 D HA 0.530 5.170 4.640 -0.000 0.000 0.255 393 D C 0.173 176.549 176.300 0.128 0.000 1.246 393 D CA -0.135 54.026 54.000 0.268 0.000 0.795 393 D CB 0.622 41.523 40.800 0.169 0.000 1.369 393 D HN 0.787 nan 8.370 nan 0.000 0.425 394 N N -1.668 117.062 118.700 0.050 0.000 2.980 394 N HA -0.228 4.512 4.740 -0.000 0.000 0.219 394 N C -0.125 175.444 175.510 0.099 0.000 0.883 394 N CA 0.771 53.794 53.050 -0.045 0.000 1.018 394 N CB -1.664 36.678 38.487 -0.243 0.000 1.041 394 N HN 0.713 nan 8.380 nan 0.000 0.592 407 D N -0.671 119.668 120.400 -0.101 0.000 2.501 407 D HA 0.406 5.046 4.640 -0.000 0.000 0.224 407 D C -0.195 176.050 176.300 -0.093 0.000 1.202 407 D CA -0.234 53.722 54.000 -0.074 0.000 0.829 407 D CB 0.063 40.813 40.800 -0.083 0.000 1.023 407 D HN 0.409 nan 8.370 nan 0.000 0.499 408 C N -0.123 119.086 119.300 -0.152 0.000 2.985 408 C HA 0.368 4.828 4.460 -0.000 0.000 0.332 408 C C 1.274 176.249 174.990 -0.024 0.000 1.164 408 C CA -0.697 58.265 59.018 -0.093 0.000 1.347 408 C CB 1.171 28.776 27.740 -0.225 0.000 1.764 408 C HN 0.584 nan 8.230 nan 0.000 0.489 409 C N 0.577 119.962 119.300 0.141 0.000 2.609 409 C HA 0.407 4.867 4.460 -0.000 0.000 0.305 409 C C 1.347 176.532 174.990 0.326 0.000 1.319 409 C CA 0.270 59.444 59.018 0.261 0.000 1.793 409 C CB -1.279 26.584 27.740 0.206 0.000 2.260 409 C HN 1.031 nan 8.230 nan 0.000 0.535 410 G N 1.308 110.318 108.800 0.349 0.000 2.349 410 G HA2 0.519 4.479 3.960 -0.000 0.000 0.281 410 G HA3 0.519 4.479 3.960 -0.000 0.000 0.281 410 G C -0.893 174.478 174.900 0.785 0.000 1.182 410 G CA 0.260 45.744 45.100 0.640 0.000 0.899 410 G HN 0.321 nan 8.290 nan 0.000 0.455 411 V N 3.965 124.277 119.914 0.665 0.000 2.668 411 V HA 0.462 4.582 4.120 -0.000 0.000 0.304 411 V C -0.370 175.713 176.094 -0.019 0.000 1.071 411 V CA -0.693 61.825 62.300 0.365 0.000 0.894 411 V CB 1.814 33.803 31.823 0.277 0.000 1.008 411 V HN 0.711 nan 8.190 nan 0.000 0.425 412 L N 3.828 124.912 121.223 -0.232 0.000 2.385 412 L HA 0.967 5.307 4.340 -0.000 0.000 0.273 412 L C -0.341 176.539 176.870 0.016 0.000 0.990 412 L CA -0.454 54.192 54.840 -0.323 0.000 0.821 412 L CB 2.005 43.531 42.059 -0.888 0.000 1.279 412 L HN 0.811 nan 8.230 nan 0.000 0.412 413 A N 5.929 128.774 122.820 0.042 0.000 2.374 413 A HA 0.764 5.084 4.320 -0.000 0.000 0.305 413 A C -1.046 176.558 177.584 0.033 0.000 1.053 413 A CA -0.544 51.375 52.037 -0.196 0.000 0.726 413 A CB 1.375 20.234 19.000 -0.236 0.000 1.229 413 A HN 0.695 nan 8.150 nan 0.000 0.431 414 I N -0.521 120.038 120.570 -0.018 0.000 2.569 414 I HA 0.825 4.995 4.170 -0.000 0.000 0.296 414 I C -0.452 175.556 176.117 -0.181 0.000 1.028 414 I CA -0.896 60.427 61.300 0.037 0.000 1.082 414 I CB 2.001 40.074 38.000 0.122 0.000 1.264 414 I HN 0.720 nan 8.210 nan 0.000 0.429 415 R N 5.386 125.553 120.500 -0.555 0.000 2.514 415 R HA 0.745 5.085 4.340 -0.000 0.000 0.301 415 R C -1.617 174.329 176.300 -0.591 0.000 0.962 415 R CA -0.383 54.961 56.100 -1.261 0.000 0.882 415 R CB 1.431 30.575 30.300 -1.928 0.000 1.143 415 R HN 0.771 nan 8.270 nan 0.000 0.452 423 W N 0.124 120.908 121.300 -0.860 0.000 3.207 423 W HA 0.862 5.522 4.660 -0.000 0.000 0.326 423 W C -0.064 176.260 176.519 -0.326 0.000 1.190 423 W CA -0.857 56.103 57.345 -0.642 0.000 1.011 423 W CB 1.883 31.228 29.460 -0.192 0.000 1.511 423 W HN 0.441 nan 8.180 nan 0.000 0.606 424 I N 1.024 121.567 120.570 -0.045 0.000 2.743 424 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 424 I C -1.616 174.177 176.117 -0.541 0.000 1.343 424 I CA -0.687 60.545 61.300 -0.114 0.000 1.038 424 I CB 1.826 39.802 38.000 -0.041 0.000 1.311 424 I HN 0.103 nan 8.210 nan 0.000 0.426 425 F N 3.494 123.173 119.950 -0.451 0.000 2.588 425 F HA 0.631 5.158 4.527 -0.000 0.000 0.310 425 F C -1.289 173.945 175.800 -0.943 0.000 1.082 425 F CA -0.636 57.033 58.000 -0.550 0.000 0.929 425 F CB 1.844 40.541 39.000 -0.505 0.000 1.254 425 F HN 0.219 nan 8.300 nan 0.000 0.455 426 W N 2.069 123.044 121.300 -0.541 0.000 2.883 426 W HA 0.748 5.408 4.660 -0.000 0.000 0.335 426 W C -1.682 174.562 176.519 -0.459 0.000 1.083 426 W CA -1.574 55.489 57.345 -0.470 0.000 1.233 426 W CB 0.686 30.021 29.460 -0.209 0.000 1.412 426 W HN 0.205 nan 8.180 nan 0.000 0.490 427 F N 1.573 121.756 119.950 0.388 0.000 2.556 427 F HA 0.772 5.299 4.527 -0.000 0.000 0.327 427 F C 0.491 176.496 175.800 0.341 0.000 1.059 427 F CA -1.489 56.719 58.000 0.348 0.000 0.953 427 F CB 1.992 41.083 39.000 0.151 0.000 1.227 427 F HN 0.030 nan 8.300 nan 0.000 0.478 428 R N 0.577 121.364 120.500 0.478 0.000 2.518 428 R HA 0.257 4.597 4.340 -0.000 0.000 0.296 428 R C -0.999 175.332 176.300 0.052 0.000 1.080 428 R CA -0.883 55.260 56.100 0.071 0.000 0.922 428 R CB 1.474 31.695 30.300 -0.132 0.000 1.184 428 R HN 0.739 nan 8.270 nan 0.000 0.445 429 H N 0.149 119.299 119.070 0.132 0.000 2.309 429 H HA 0.291 4.847 4.556 -0.000 0.000 0.341 429 H C -0.510 174.854 175.328 0.060 0.000 1.677 429 H CA -0.638 55.460 56.048 0.083 0.000 1.440 429 H CB 0.601 30.400 29.762 0.061 0.000 1.693 429 H HN 0.438 nan 8.280 nan 0.000 0.608 430 E N -1.269 119.110 120.200 0.298 0.000 3.666 430 E HA 0.117 4.467 4.350 -0.000 0.000 0.230 430 E C -0.528 176.146 176.600 0.124 0.000 1.235 430 E CA -0.005 56.502 56.400 0.180 0.000 1.096 430 E CB 0.496 30.261 29.700 0.108 0.000 1.287 430 E HN 0.716 nan 8.360 nan 0.000 0.406 431 E N 1.157 121.435 120.200 0.131 0.000 2.499 431 E HA 0.023 4.373 4.350 -0.000 0.000 0.199 431 E C 0.369 177.052 176.600 0.138 0.000 1.016 431 E CA -0.215 56.228 56.400 0.072 0.000 0.933 431 E CB 0.662 30.341 29.700 -0.035 0.000 1.050 431 E HN 0.313 nan 8.360 nan 0.000 0.462 432 V N 0.329 120.348 119.914 0.176 0.000 2.790 432 V HA 0.004 4.124 4.120 -0.000 0.000 0.304 432 V C 0.060 176.350 176.094 0.326 0.000 1.142 432 V CA 0.366 62.795 62.300 0.214 0.000 1.282 432 V CB -0.041 31.903 31.823 0.202 0.000 0.877 432 V HN 0.623 nan 8.190 nan 0.000 0.504 449 P HA 0.643 nan 4.420 nan 0.000 0.284 449 P C 0.304 177.602 177.300 -0.003 0.000 1.287 449 P CA -0.249 62.843 63.100 -0.014 0.000 0.824 449 P CB 2.075 33.763 31.700 -0.020 0.000 1.180 450 S N -1.847 113.856 115.700 0.005 0.000 2.665 450 S HA 0.322 4.792 4.470 -0.000 0.000 0.240 450 S C 0.782 175.391 174.600 0.016 0.000 1.081 450 S CA 0.314 58.520 58.200 0.010 0.000 0.887 450 S CB -0.569 62.638 63.200 0.012 0.000 0.805 450 S HN 0.618 nan 8.310 nan 0.000 0.486 451 G N 1.409 110.223 108.800 0.023 0.000 2.410 451 G HA2 0.535 4.495 3.960 -0.000 0.000 0.330 451 G HA3 0.535 4.495 3.960 -0.000 0.000 0.330 451 G C -2.016 172.901 174.900 0.028 0.000 1.142 451 G CA -1.226 43.893 45.100 0.031 0.000 0.902 451 G HN 0.187 nan 8.290 nan 0.000 0.491 452 P HA -0.060 nan 4.420 nan 0.000 0.213 452 P C 1.801 179.120 177.300 0.032 0.000 1.170 452 P CA 0.960 64.075 63.100 0.025 0.000 0.893 452 P CB 0.175 31.891 31.700 0.026 0.000 0.784 453 R N 0.354 120.887 120.500 0.055 0.000 2.240 453 R HA 0.074 4.414 4.340 -0.000 0.000 0.203 453 R C 0.730 177.089 176.300 0.097 0.000 1.011 453 R CA 0.411 56.558 56.100 0.078 0.000 1.007 453 R CB -1.009 29.352 30.300 0.102 0.000 0.911 453 R HN 0.111 nan 8.270 nan 0.000 0.468 454 L N 3.424 124.694 121.223 0.079 0.000 2.436 454 L HA 0.185 4.525 4.340 -0.000 0.000 0.244 454 L C -0.332 176.374 176.870 -0.273 0.000 1.396 454 L CA -0.123 54.740 54.840 0.038 0.000 1.217 454 L CB -0.992 41.137 42.059 0.116 0.000 1.420 454 L HN 0.317 nan 8.230 nan 0.000 0.434 455 T N -3.172 111.265 114.554 -0.196 0.000 2.894 455 T HA 0.409 4.759 4.350 -0.000 0.000 0.309 455 T C -2.392 172.286 174.700 -0.036 0.000 1.208 455 T CA -1.633 60.338 62.100 -0.216 0.000 1.016 455 T CB 2.766 71.587 68.868 -0.078 0.000 1.192 455 T HN -0.168 nan 8.240 nan 0.000 0.491 456 P HA -0.138 nan 4.420 nan 0.000 0.213 456 P C 1.432 178.800 177.300 0.114 0.000 1.176 456 P CA 1.334 64.559 63.100 0.209 0.000 0.919 456 P CB 0.069 31.920 31.700 0.251 0.000 0.791 457 R N -0.551 120.020 120.500 0.119 0.000 2.280 457 R HA 0.025 4.365 4.340 -0.000 0.000 0.207 457 R C 2.032 178.396 176.300 0.107 0.000 1.043 457 R CA 1.281 57.471 56.100 0.150 0.000 1.006 457 R CB -0.864 29.521 30.300 0.143 0.000 0.885 457 R HN 0.175 nan 8.270 nan 0.000 0.467 458 G N -1.246 107.601 108.800 0.077 0.000 2.683 458 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.213 458 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.213 458 G C 1.099 176.057 174.900 0.097 0.000 1.142 458 G CA 0.061 45.197 45.100 0.060 0.000 0.793 458 G HN 0.263 nan 8.290 nan 0.000 0.534 459 S N -0.003 115.784 115.700 0.144 0.000 2.421 459 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 459 S C 1.743 176.449 174.600 0.177 0.000 1.035 459 S CA 0.042 58.366 58.200 0.207 0.000 0.953 459 S CB -0.210 63.220 63.200 0.384 0.000 0.810 459 S HN 0.363 nan 8.310 nan 0.000 0.497 460 F N 2.894 122.774 119.950 -0.115 0.000 2.234 460 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 460 F C 1.894 177.761 175.800 0.111 0.000 1.087 460 F CA 1.190 59.120 58.000 -0.116 0.000 1.340 460 F CB -0.486 38.359 39.000 -0.257 0.000 1.031 460 F HN 0.196 nan 8.300 nan 0.000 0.500 461 E N 0.012 120.142 120.200 -0.116 0.000 2.106 461 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 461 E C 2.308 178.868 176.600 -0.066 0.000 0.984 461 E CA 0.918 57.206 56.400 -0.187 0.000 0.806 461 E CB -0.331 29.306 29.700 -0.106 0.000 0.750 461 E HN 0.435 nan 8.360 nan 0.000 0.458 462 A N 0.443 123.283 122.820 0.034 0.000 2.066 462 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 462 A C 1.730 179.358 177.584 0.074 0.000 1.157 462 A CA 0.709 52.776 52.037 0.051 0.000 0.670 462 A CB -0.694 18.362 19.000 0.092 0.000 0.804 462 A HN 0.522 nan 8.150 nan 0.000 0.453 463 W N 0.921 122.184 121.300 -0.062 0.000 2.407 463 W HA -0.082 4.578 4.660 -0.000 0.000 0.305 463 W C 1.725 178.181 176.519 -0.104 0.000 1.196 463 W CA 1.638 58.958 57.345 -0.042 0.000 1.311 463 W CB -0.109 29.377 29.460 0.043 0.000 1.135 463 W HN 0.419 nan 8.180 nan 0.000 0.514 464 E N 0.177 120.240 120.200 -0.228 0.000 2.171 464 E HA -0.327 4.023 4.350 -0.000 0.000 0.197 464 E C 1.878 178.183 176.600 -0.492 0.000 0.997 464 E CA 1.747 57.810 56.400 -0.562 0.000 0.810 464 E CB -0.322 29.204 29.700 -0.289 0.000 0.738 464 E HN 0.501 nan 8.360 nan 0.000 0.467 465 E N 0.513 120.529 120.200 -0.307 0.000 2.106 465 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 465 E C 1.880 178.324 176.600 -0.259 0.000 0.984 465 E CA 0.728 56.999 56.400 -0.215 0.000 0.806 465 E CB 0.210 29.834 29.700 -0.125 0.000 0.750 465 E HN 0.013 nan 8.360 nan 0.000 0.458 466 V N 0.645 120.339 119.914 -0.368 0.000 3.078 466 V HA -0.146 3.974 4.120 -0.000 0.000 0.265 466 V C 1.913 177.621 176.094 -0.644 0.000 1.122 466 V CA 1.455 63.481 62.300 -0.456 0.000 1.141 466 V CB 0.428 32.027 31.823 -0.373 0.000 0.735 466 V HN 0.506 nan 8.190 nan 0.000 0.498 467 V N -3.735 115.814 119.914 -0.609 0.000 3.502 467 V HA 0.290 4.410 4.120 -0.000 0.000 0.288 467 V C 1.855 177.816 176.094 -0.222 0.000 1.461 467 V CA 0.183 62.188 62.300 -0.491 0.000 1.029 467 V CB -0.118 31.202 31.823 -0.839 0.000 0.843 467 V HN 0.277 nan 8.190 nan 0.000 0.438 468 R N 1.501 121.894 120.500 -0.179 0.000 2.235 468 R HA 0.161 4.500 4.340 -0.000 0.000 0.213 468 R C 1.658 177.967 176.300 0.014 0.000 1.059 468 R CA 1.203 57.253 56.100 -0.083 0.000 0.997 468 R CB 0.021 30.265 30.300 -0.093 0.000 0.884 468 R HN 0.642 nan 8.270 nan 0.000 0.462 469 G N -0.405 108.461 108.800 0.109 0.000 3.993 469 G HA2 0.080 4.040 3.960 -0.000 0.000 0.294 469 G HA3 0.080 4.040 3.960 -0.000 0.000 0.294 469 G C -0.885 173.980 174.900 -0.058 0.000 1.043 469 G CA -0.318 44.812 45.100 0.049 0.000 0.839 469 G HN 0.191 nan 8.290 nan 0.000 0.516 470 H N 0.612 119.660 119.070 -0.036 0.000 2.727 470 H HA 0.481 5.037 4.556 -0.000 0.000 0.330 470 H C 0.253 175.559 175.328 -0.037 0.000 0.986 470 H CA -0.857 55.173 56.048 -0.030 0.000 1.251 470 H CB 1.545 31.268 29.762 -0.065 0.000 1.493 470 H HN 0.181 nan 8.280 nan 0.000 0.515 471 S N 1.820 117.541 115.700 0.035 0.000 2.624 471 S HA 0.193 4.663 4.470 -0.000 0.000 0.263 471 S C 0.153 174.667 174.600 -0.143 0.000 1.287 471 S CA -0.900 57.276 58.200 -0.041 0.000 0.990 471 S CB 0.607 63.764 63.200 -0.073 0.000 0.950 471 S HN 0.546 nan 8.310 nan 0.000 0.561 472 T N 4.043 118.480 114.554 -0.194 0.000 2.778 472 T HA 0.208 4.558 4.350 -0.000 0.000 0.282 472 T C -2.250 172.174 174.700 -0.460 0.000 0.983 472 T CA -0.266 61.696 62.100 -0.230 0.000 1.193 472 T CB -0.483 68.272 68.868 -0.188 0.000 0.938 472 T HN 0.519 nan 8.240 nan 0.000 0.523 473 P HA 0.059 nan 4.420 nan 0.000 0.269 473 P C -0.631 176.443 177.300 -0.377 0.000 1.215 473 P CA -0.427 62.474 63.100 -0.331 0.000 0.780 473 P CB 0.388 32.041 31.700 -0.078 0.000 0.898 474 W N 1.631 122.930 121.300 -0.003 0.000 2.481 474 W HA 0.235 4.894 4.660 -0.000 0.000 0.320 474 W C 0.477 176.940 176.519 -0.094 0.000 1.209 474 W CA -0.193 57.118 57.345 -0.057 0.000 1.400 474 W CB -0.377 29.046 29.460 -0.061 0.000 1.361 474 W HN 0.241 nan 8.180 nan 0.000 0.456 475 S N 1.558 117.296 115.700 0.062 0.000 2.580 475 S HA -0.157 4.313 4.470 -0.000 0.000 0.261 475 S C 1.380 175.952 174.600 -0.047 0.000 1.366 475 S CA -0.410 57.770 58.200 -0.034 0.000 0.996 475 S CB 0.714 63.884 63.200 -0.049 0.000 0.902 475 S HN 0.679 nan 8.310 nan 0.000 0.566 476 E N 0.865 121.007 120.200 -0.097 0.000 2.209 476 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 476 E C 1.620 178.173 176.600 -0.077 0.000 0.993 476 E CA 1.893 58.239 56.400 -0.090 0.000 0.819 476 E CB -0.401 29.240 29.700 -0.097 0.000 0.745 476 E HN 0.718 nan 8.360 nan 0.000 0.477 477 T N 0.445 114.956 114.554 -0.071 0.000 2.851 477 T HA -0.078 4.272 4.350 -0.000 0.000 0.262 477 T C 1.021 175.664 174.700 -0.094 0.000 1.043 477 T CA 1.079 63.137 62.100 -0.069 0.000 1.140 477 T CB -0.268 68.567 68.868 -0.055 0.000 0.872 477 T HN 0.196 nan 8.240 nan 0.000 0.446 478 D N 1.485 121.830 120.400 -0.091 0.000 2.144 478 D HA -0.002 4.638 4.640 -0.000 0.000 0.200 478 D C 1.996 178.163 176.300 -0.222 0.000 0.978 478 D CA 0.452 54.358 54.000 -0.157 0.000 0.833 478 D CB -0.303 40.472 40.800 -0.042 0.000 0.961 478 D HN 0.191 nan 8.370 nan 0.000 0.470 479 L N 0.569 121.700 121.223 -0.154 0.000 2.275 479 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 479 L C 2.169 178.955 176.870 -0.141 0.000 1.119 479 L CA 0.762 55.499 54.840 -0.172 0.000 0.790 479 L CB -0.850 41.112 42.059 -0.162 0.000 0.919 479 L HN -0.035 nan 8.230 nan 0.000 0.443 480 A N -0.463 122.286 122.820 -0.119 0.000 1.975 480 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 480 A C 2.215 179.744 177.584 -0.091 0.000 1.170 480 A CA 0.543 52.526 52.037 -0.089 0.000 0.656 480 A CB -0.109 18.849 19.000 -0.070 0.000 0.821 480 A HN 0.280 nan 8.150 nan 0.000 0.449 481 I N -0.165 120.328 120.570 -0.129 0.000 2.162 481 I HA -0.209 3.961 4.170 -0.000 0.000 0.238 481 I C 2.925 178.969 176.117 -0.121 0.000 1.076 481 I CA 1.070 62.292 61.300 -0.129 0.000 1.353 481 I CB -0.385 37.501 38.000 -0.190 0.000 1.063 481 I HN 0.314 nan 8.210 nan 0.000 0.408 482 A N -0.038 122.638 122.820 -0.239 0.000 2.076 482 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 482 A C 2.233 179.819 177.584 0.004 0.000 1.160 482 A CA 1.590 53.561 52.037 -0.109 0.000 0.653 482 A CB -0.389 18.441 19.000 -0.285 0.000 0.801 482 A HN 0.369 nan 8.150 nan 0.000 0.455 483 E N 0.058 120.230 120.200 -0.047 0.000 2.024 483 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 483 E C 1.892 178.485 176.600 -0.011 0.000 0.974 483 E CA 0.643 57.028 56.400 -0.025 0.000 0.810 483 E CB -0.307 29.366 29.700 -0.045 0.000 0.775 483 E HN 0.263 nan 8.360 nan 0.000 0.453 484 K N 1.106 121.493 120.400 -0.021 0.000 2.089 484 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 484 K C 2.276 178.873 176.600 -0.005 0.000 1.048 484 K CA 0.624 56.902 56.287 -0.016 0.000 0.926 484 K CB -0.738 31.750 32.500 -0.021 0.000 0.714 484 K HN 0.208 nan 8.250 nan 0.000 0.448 485 L N 0.553 121.787 121.223 0.018 0.000 1.976 485 L HA -0.226 4.113 4.340 -0.000 0.000 0.209 485 L C 2.801 179.675 176.870 0.006 0.000 1.071 485 L CA 1.566 56.426 54.840 0.033 0.000 0.746 485 L CB -0.405 41.731 42.059 0.128 0.000 0.890 485 L HN 0.251 nan 8.230 nan 0.000 0.432 486 R N -0.234 120.295 120.500 0.048 0.000 2.134 486 R HA -0.267 4.073 4.340 -0.000 0.000 0.248 486 R C 2.247 178.545 176.300 -0.002 0.000 1.143 486 R CA 1.986 58.116 56.100 0.050 0.000 0.957 486 R CB -0.387 29.952 30.300 0.066 0.000 0.867 486 R HN 0.247 nan 8.270 nan 0.000 0.441 487 L N 1.366 122.584 121.223 -0.008 0.000 2.042 487 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 487 L C 1.841 178.689 176.870 -0.036 0.000 1.076 487 L CA 1.905 56.733 54.840 -0.020 0.000 0.749 487 L CB -0.768 41.281 42.059 -0.018 0.000 0.893 487 L HN 0.218 nan 8.230 nan 0.000 0.432 488 D N -1.368 119.005 120.400 -0.044 0.000 2.144 488 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 488 D C 0.867 177.111 176.300 -0.094 0.000 0.984 488 D CA 0.711 54.676 54.000 -0.057 0.000 0.834 488 D CB 0.040 40.810 40.800 -0.050 0.000 0.955 488 D HN 0.004 nan 8.370 nan 0.000 0.465 492 L N 1.508 122.700 121.223 -0.051 0.000 2.410 492 L HA 0.116 4.456 4.340 -0.000 0.000 0.273 492 L C 0.867 177.724 176.870 -0.022 0.000 1.152 492 L CA 0.370 55.184 54.840 -0.044 0.000 0.855 492 L CB 0.437 42.454 42.059 -0.069 0.000 1.129 492 L HN 0.366 nan 8.230 nan 0.000 0.463 493 C N 2.383 121.675 119.300 -0.014 0.000 2.735 493 C HA 0.634 5.094 4.460 -0.000 0.000 0.444 493 C C 0.488 175.479 174.990 0.001 0.000 1.331 493 C CA -0.377 58.638 59.018 -0.004 0.000 2.225 493 C CB 0.003 27.740 27.740 -0.005 0.000 2.917 493 C HN 0.787 nan 8.230 nan 0.000 0.567 494 L N 0.000 121.222 121.223 -0.001 0.000 2.949 494 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 494 L CA 0.000 54.842 54.840 0.004 0.000 0.813 494 L CB 0.000 42.063 42.059 0.006 0.000 0.961 494 L HN 0.000 nan 8.230 nan 0.000 0.502